Myung H. Whangbo

Works (495)

Updated: November 23rd, 2024 05:03

2024 article

Construction of Ideal One-Dimensional Spin Chains by Topochemical Dehydration/Rehydration Route

Wang, Y., Fu, P., Takatsu, H., Tassel, C., Hayashi, N., Cao, J., … Lu, H. (2024, March 15). JOURNAL OF THE AMERICAN CHEMICAL SOCIETY.

By: Y. Wang*, P. Fu*, H. Takatsu*, C. Tassel*, N. Hayashi*, J. Cao*, T. Bataille*, H. Koo* ...

Source: Web Of Science
Added: April 1, 2024

2024 article

Observation of Haldane magnetism in organically templated vanadium phosphate (<i>en</i>H<sub>2</sub>)<sub>0.5</sub>VPO<sub>4</sub>OH

Samarin, A. S., Fedotov, S. S., Koo, H.-j., Whangbo, M.-h., Gippius, A. A., Zhurenko, S. V., … Vasiliev, A. N. (2024, September 11). DALTON TRANSACTIONS.

By: A. Samarin, S. Fedotov, H. Koo, M. Whangbo*, A. Gippius, S. Zhurenko, A. Tkachev, L. Shvanskaya, A. Vasiliev

Source: Web Of Science
Added: September 23, 2024

2024 article

Polar Layered Magnet Ba<sub>2</sub>Cu<sub>3</sub>(SeO<sub>3</sub>)<sub>4</sub>F<sub>2</sub> Composed of Bitriangular Chains: Observation of 1/3-Magnetization Plateau

Yalikun, A., Wang, Y., Shi, N., Chen, Y., Huang, H., Koo, H.-J., … Lu, H. (2024, August 13). CHEMISTRY OF MATERIALS.

By: A. Yalikun*, Y. Wang*, N. Shi*, Y. Chen*, H. Huang*, H. Koo*, Z. Ouyang*, Z. Xia* ...

Source: Web Of Science
Added: August 26, 2024

2024 article

Single-Step Synthesis of An Ideal Chain Antiferromagnet [H<sub>2</sub>(4,4′-bipyridyl)](H<sub>3</sub>O)<sub>2</sub>Fe<sub>2</sub>F<sub>10</sub> with Spin <i>S</i>=5/2

Wang, Y., Dou, Y., Takastu, H., Wang, T., Koo, H.-J., Whangbo, M.-H., … Lu, H. (2024, October 31). ANGEWANDTE CHEMIE-INTERNATIONAL EDITION.

By: Y. Wang*, Y. Dou*, H. Takastu*, T. Wang*, H. Koo*, M. Whangbo n, H. Kageyama*, H. Lu*

author keywords: Antiferromagnetism; Hydrogen bonds; Hydrothermal synthesis; Quantum magnetism; Spin chains
Source: Web Of Science
Added: November 18, 2024

2023 article

A cascade of magnetic phase transitions and a 1/3-magnetization plateau in selenite-selenate Co-3(SeO3)(SeO4)(OH)(2) with kagome-like Co2+ ion layer arrangements: the importance of identifying a correct spin lattice

Murtazoev, A. F., Berdonosov, P. S., Lyssenko, K. A., Dolgikh, V. A., Geidorf, M. Y., Volkova, O. S., … Vasiliev, A. N. (2023, June 15). DALTON TRANSACTIONS.

By: A. Murtazoev*, P. Berdonosov*, K. Lyssenko*, V. Dolgikh, M. Geidorf*, O. Volkova, H. Koo*, M. Whangbo n, A. Vasiliev*

Source: Web Of Science
Added: July 19, 2023

2023 article

A combination of organic and inorganic cations in the synthesis of transition metal nitrates: preparation and characterization of canted rectangular Ising antiferromagnet (PyH)CsCo<sub>2</sub>(NO<sub>3</sub>)<sub>6</sub>

Vorobyova, A. A., Lyssenko, K. A., Chistyakov, G. D., Morozov, I. V., Ovchenkov, Y. A., Vasilchikova, T. M., … Vasiliev, A. N. (2023, November 9). DALTON TRANSACTIONS.

By: A. Vorobyova*, K. Lyssenko*, G. Chistyakov*, I. Morozov, Y. Ovchenkov*, T. Vasilchikova*, H. Koo n, M. Whangbo n, O. Volkova, A. Vasiliev*

Source: Web Of Science
Added: December 18, 2023

2023 journal article

Cation exchange route to a Eu(II)-containing tantalum oxide

JOURNAL OF SOLID STATE CHEMISTRY, 328.

Sources: Web Of Science, NC State University Libraries
Added: November 6, 2023

2023 journal article

Magnetic transitions of hydrogenated H (x) CrO2 (x=0-2) monolayer from a ferromagnetic half-metal to antiferromagnetic insulator

JOURNAL OF PHYSICS-CONDENSED MATTER, 35(30).

author keywords: density functional theory; first-principles calculations; two-dimensional materials; magnetic phase transition; hydrogen adsorption
Source: Web Of Science
Added: May 15, 2023

2023 article

Phase Competition and Strong SHG Responses of the (Li2MMSe4)-M-II-Se-IV Family: Atom Response Theory Predictions versus Experimental Results

Cheng, X., Deng, S., Yao, W.-D., Guo, S.-P., Whangbo, M.-H., & Ding, B. (2023, January 24). CHEMISTRY OF MATERIALS.

By: X. Cheng*, S. Deng*, W. Yao*, S. Guo*, M. Whangbo n & B. Ding*

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: March 13, 2023

2023 journal article

Successive Short- and Long-Range Magnetic Ordering in Ba2Mn3(SeO3)(6) with Honeycomb Layers of Mn3+ Ions Alternating with Triangular Layers of Mn2+ Ions

MATERIALS, 16(7).

By: A. Moskin*, E. Kozlyakova*, S. Chung*, H. Koo*, M. Whangbo n & A. Vasiliev*

author keywords: honeycomb lattice; triangular lattice; long-range magnetic order; short-range magnetic order; first principles' calculations
Source: Web Of Science
Added: May 15, 2023

2022 journal article

<p>Orbital projection technique to explore the materials genomes of optical susceptibilities & nbsp;& nbsp;</p>

Orbital projection technique to explore the materials genomes of optical susceptibilities & nbsp;& nbsp;

AIP ADVANCES, 12(5).

By: Z. Li*, S. Deng*, M. Whangbo n & H. Luo*

Source: Web Of Science
Added: May 31, 2022

2022 journal article

Absence of Spin Frustration in the Kagome Layers of Cu2+ Ions in Volborthite Cu3V2O7(OH)(2)center dot 2H(2)O and Observation of the Suppression and Re-Entrance of Specific Heat Anomalies in Volborthite under an External Magnetic Field

CONDENSED MATTER, 7(1).

By: M. Whangbo n, H. Koo*, E. Bruecher, P. Puphal* & R. Kremer*

author keywords: volborthite; deuterated volborthite; kagome layer; spin exchange; DFT calculations; two-leg spin ladder; spin 1/2 antiferromagnetic uniform Heisenberg chain; entropy driven magnetic phase transitions; magnetic heat capacity; magnetic field-dependence of specific heat
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: April 18, 2022

2022 article

High-Spin Orbital Interactions Across van der Waals Gaps Controlling the Interlayer Ferromagnetism in van der Waals Ferromagnets

Koo, H.-J., Kremer, R. K., & Whangbo, M.-H. (2022, August 31). JOURNAL OF THE AMERICAN CHEMICAL SOCIETY.

By: H. Koo*, R. Kremer* & M. Whangbo n

Source: Web Of Science
Added: September 12, 2022

2022 journal article

Highly anisotropic 1/3-magnetization plateau in a ferrimagnet Cs2Cu3(SeO3)(4)center dot 2H(2)O: topology of magnetic bonding necessary for magnetization plateau

DALTON TRANSACTIONS, 52(1), 118–127.

Source: Web Of Science
Added: January 3, 2023

2022 journal article

Magnetic Properties of A(2)Ni(2)TeO(6) (A = K, Li): Zigzag Order in the Honeycomb Layers of Ni2+ Ions Induced by First and Third Nearest-Neighbor Spin Exchanges

MATERIALS, 15(7).

author keywords: metaloxides; honeycomb lattice; long-range order; short-range order; first principles calculations
Source: Web Of Science
Added: April 25, 2022

2022 review

Material research from the viewpoint of functional motifs

[Review of ]. NATIONAL SCIENCE REVIEW, 9(7).

By: X. Jiang*, S. Deng*, M. Whangbo n & G. Guo*

author keywords: functional motif; functional motif arrangements; microscopic structures; structure-property relationship
Source: Web Of Science
Added: August 29, 2022

2022 article

Microscopic Mechanism of the Heat-Induced Blueshift in Phosphors and a Logarithmic Energy Dependence on the Nearest Dopant-Vacancy Distance

Xu, J., Huang, X., Cheng, X., Whangbo, M.-H., & Deng, S. (2022, February 19). ANGEWANDTE CHEMIE-INTERNATIONAL EDITION.

By: J. Xu*, X. Huang*, X. Cheng*, M. Whangbo n & S. Deng*

author keywords: Electron-Phonon; First-Principles Calculations; Logarithmic; Luminescent Materials; Structures
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (Web of Science; OpenAlex)
Source: Web Of Science
Added: March 7, 2022

2022 article

Multiple strongly coupled antiferromagnetic spin S=1/2 dimers in liroconite Cu2Al(As,P)O-4(OH)(4)center dot 4H(2)O

Kremer, R. K., Bette, S., Bruecher, E., Nuss, J., Schulz, A., Whangbo, M.-H., & Koo, H.-J. (2022, September 2). ZEITSCHRIFT FUR KRISTALLOGRAPHIE-CRYSTALLINE MATERIALS.

By: R. Kremer*, S. Bette*, E. Bruecher, J. Nuss*, A. Schulz*, M. Whangbo n, H. Koo*

author keywords: liroconite; magnetic; structural; spin S=1; 2 dimers; vibrational properties
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation (OpenAlex)
Source: Web Of Science
Added: September 12, 2022

2022 journal article

Negative Second Harmonic Response of Sn(4+)in the Fresnoite Oxysulfide Ba2SnSSi2O7

CHEMISTRY OF MATERIALS, 34(10), 4375–4383.

Source: Web Of Science
Added: July 5, 2022

2022 article

Observation of a 1/3 magnetization plateau in Pb2Cu10O4(SeO3)(4)Cl-7 arising from (Cu2+)(7) clusters of corner-sharing (Cu2+)(4) tetrahedra

Vasiliev, A. N., Berdonosov, P. S., Kozlyakova, E. S., Maximova, O., Murtazoev, A. F., Dolgikh, V. A., … Whangbo, M.-H. (2022, September 6). DALTON TRANSACTIONS.

By: A. Vasiliev*, P. Berdonosov*, E. Kozlyakova*, O. Maximova*, A. Murtazoev*, V. Dolgikh, K. Lyssenko*, Z. Pchelkina* ...

Source: Web Of Science
Added: September 26, 2022

2022 journal article

Orthogonal antiferromagnetism to canted ferromagnetism in CaCo3Ti4O12 quadruple perovskite driven by underlying kagome lattices

COMMUNICATIONS MATERIALS, 3(1).

Source: Web Of Science
Added: August 15, 2022

2022 journal article

Prediction of Large Second Harmonic Generation in the Metal-Oxide/Organic Hybrid Compound CuMoO3(p2c)

SYMMETRY-BASEL, 14(4).

By: T. Yang*, X. Huang*, X. Cheng*, P. Maggard n, M. Whangbo n, C. Luan*, S. Deng*

author keywords: nonlinear optical material; noncentrosymmetric; MOF; atom response theory; DFT calculation
Sources: Web Of Science, ORCID, NC State University Libraries
Added: April 19, 2022

2022 article

Preparation and Characterization of Francisite Solid Solutions Cu3Bi(S(e1-x)TexO(3))(2)O2Br (x=0-1): Possibility for Francisites as Starting Materials for Oxide van der Waals Ferromagnets

Markina, M., Vasilchikova, T., Kuznetsova, E., Berdonosov, P., Olenev, A., Chung, S. H., … Vasiliev, A. (2022, December 30). CHEMISTRY OF MATERIALS.

By: M. Markina*, T. Vasilchikova*, E. Kuznetsova, P. Berdonosov*, A. Olenev, S. Chung*, H. Koo*, M. Whangbo n, A. Vasiliev*

Source: Web Of Science
Added: January 30, 2023

2022 article

Skin-Deep Aspect of Thermopower in Bi(2)Q(3), PbQ, and BiCuQO (Q = Se, Te): Hidden One-Dimensional Character of Their Band Edges Leading to High Thermopower

Lee, C., Park, T., Shim, J. H., & Whangbo, M.-H. (2022, September 21). ACCOUNTS OF CHEMICAL RESEARCH.

By: C. Lee*, T. Park*, J. Shim* & M. Whangbo n

UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (Web of Science; OpenAlex)
Source: Web Of Science
Added: October 11, 2022

2022 article

Unusually High Magnetic Moments Reported for the High-Spin Co2+ Ions at Axially Elongated CoO4X2 (X = Cl, Br, S, Se) Octahedral Sites: Overestimated Magnetic Moments Caused by Underestimated Magnetic Form Factors

Whangbo, M.-H., Kremer, R. K., & Koo, H.-J. (2022, September 16). JOURNAL OF PHYSICAL CHEMISTRY C.

By: M. Whangbo n, R. Kremer* & H. Koo*

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: October 17, 2022

2021 journal article

Anomaly Negative Resistance Phenomena in Highly Epitaxial PrBa0.7Ca0.3Co2O5+delta Thin Films Induced from Superfast Redox Reactions

CATALYSTS, 11(12).

author keywords: double-perovskite oxide; thin film; oxygen sensing; negative resistance
Source: Web Of Science
Added: January 10, 2022

2021 journal article

Atomically dispersed cobalt-based species anchored on polythiophene as an efficient electrocatalyst for oxygen evolution reaction

APPLIED SURFACE SCIENCE, 545.

author keywords: Oxygen evolution reaction; Electrocatalyst; Polythiophene; Atomically dispersed; Cobalt-based species
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: March 15, 2021

2021 journal article

Difference in magnetic anisotropy of the ferromagnetic monolayers VI3 and CrI3

PHYSICAL REVIEW B, 103(1).

Source: Web Of Science
Added: March 8, 2021

2021 article

High partial thermal conductivity of luminescence sites: a crucial factor for reducing the heat-induced lowering of the luminescence efficiency

Luo, N., Xu, J., Cheng, X., Li, Z. H., Huang, Y., Whangbo, M.-H., … Hong, M. (2021, September 16). JOURNAL OF MATERIALS CHEMISTRY C.

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: October 12, 2021

2021 article

In Honor of John Bannister Goodenough, an Outstanding Visionary

Etourneau, J., Delmas, C., Jobic, S., & Whangbo, M.-H. (2021, November). MOLECULES, Vol. 26.

Source: Web Of Science
Added: November 29, 2021

2021 review

Spin Exchanges between Transition Metal Ions Governed by the Ligand p-Orbitals in Their Magnetic Orbitals

[Review of ]. MOLECULES, 26(3).

By: M. Whangbo n, H. Koo* & R. Kremer*

author keywords: Keywords; spin exchange; magnetic orbitals; ligand p-orbital tails; M&#8211; L&#8211; M exchange; M&#8211; L&#8230; L&#8211; M exchange; &#945; -CuV2O6; LiCuVO4; (CuCl)LaNb2O7; Cu-3(CO3)(2)(OH)(2)
MeSH headings : Crystallography, X-Ray; Electron Spin Resonance Spectroscopy; Ions / chemistry; Ligands; Magnetics; Metals / chemistry; Models, Molecular; Molecular Structure; Physical Phenomena; Quantum Theory; Transition Elements
TL;DR: This review on spin exchanges discusses how the values of spin exchanges in transition metal magnetic compounds are quantitatively determined from electronic structure calculations, which electronic factors control whether a spin exchange is antiferromagnetic or ferromagnetic, and how these factors are related to the geometrical parameters of the spin exchange path. (via Semantic Scholar)
Source: Web Of Science
Added: March 1, 2021

2021 review

Spin Hamiltonians in Magnets: Theories and Computations

[Review of ]. MOLECULES, 26(4).

By: X. Li*, H. Yu*, F. Lou*, J. Feng*, M. Whangbo n & H. Xiang*

author keywords: spin Hamiltonian; magnetism; energy-mapping analysis; four-state method; Green&#8217; s function method
MeSH headings : Magnetic Phenomena; Magnets; Models, Theoretical
TL;DR: Different types of interactions between spins (hereafter, spin interactions, for short) that may be used in effective spin Hamiltonians as well as the various methods of computing the interaction parameters. (via Semantic Scholar)
Source: Web Of Science
Added: April 5, 2021

2021 journal article

Unusual Spin Exchanges Mediated by the Molecular Anion P2S64-: Theoretical Analyses of the Magnetic Ground States, Magnetic Anisotropy and Spin Exchanges of MPS3 (M = Mn, Fe, Co, Ni)

MOLECULES, 26(5).

By: H. Koo*, R. Kremer* & M. Whangbo n

author keywords: magnetic ground state; spin exchange; magnetic anisotropy; molecular anion; MPS3; magnetic orbitals; qualitative rules
MeSH headings : Anions / chemistry; Anisotropy; Density Functional Theory; Magnetics; Metals / chemistry; Models, Molecular; Spin Labels
Source: Web Of Science
Added: March 22, 2021

2020 journal article

Atom Response Theory of Nonlinear Optical Responses and Its Applications

CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 39(12), 2172–2181.

By: W. Myung-Hwan, H. Mao-Chun & D. Shui-Quan

author keywords: atom response theory; nonlinear optical materials; functional motif; first-principles calculation
Source: Web Of Science
Added: January 11, 2021

2020 journal article

Cu2O Nanoparticles with Both {100} and {111} Facets for Enhancing the Selectivity and Activity of CO2 Electroreduction to Ethylene

ADVANCED SCIENCE, 7(6).

By: Y. Gao*, Q. Wu*, X. Liang*, Z. Wang*, Z. Zheng*, P. Wang*, Y. Liu*, Y. Dai*, M. Whangbo n, B. Huang*

author keywords: crystal facets engineering; cuprous oxide; electrocatalytic CO2 reduction; ethylene; selectivity
TL;DR: It is suggested that Cu2O NPs are more likely responsible for the selectivity and activity for the C2H4 production than the metallic Cu NPs produced on the surface of Cu2 O NPs. (via Semantic Scholar)
Source: Web Of Science
Added: February 17, 2020

2020 journal article

Enhancing the Photoelectrochemical Water Oxidation Reaction of BiVO4 Photoanode by Employing Carbon Spheres as Electron Reservoirs

ACS CATALYSIS, 10(21), 13031–13039.

By: M. Wang*, Z. Wang*, B. Zhang*, W. Jiang*, X. Bao*, H. Cheng*, Z. Zheng*, P. Wang* ...

author keywords: photoelectrochemical; water oxidation; BiVO4 photoanode; carbon spheres; electrons reservoirs
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation (Web of Science; OpenAlex)
Source: Web Of Science
Added: January 25, 2021

2020 journal article

Ferromagnetic dual topological insulator in a two-dimensional honeycomb lattice

MATERIALS HORIZONS, 7(9), 2431–2438.

Source: Web Of Science
Added: September 21, 2020

2020 journal article

Hidden magnetic order in the triangular-lattice magnet Li2MnTeO6

PHYSICAL REVIEW B, 102(9).

By: E. Zvereva*, G. Raganyan*, T. Vasilchikova*, V. Nalbandyan*, D. Gafurov*, E. Vavilova*, K. Zakharov*, H. Koo* ...

Source: Web Of Science
Added: October 12, 2020

2020 journal article

Intralayer ferromagnetism between S=5/2 ions in MnBi2Te4: Role of empty Bi p states

PHYSICAL REVIEW B, 101(20).

Source: Web Of Science
Added: June 8, 2020

2020 journal article

Key Factors Controlling the Large Second Harmonic Generation in Nonlinear Optical Materials

ACS APPLIED MATERIALS & INTERFACES, 12(8), 9434–9439.

author keywords: second harmonic generation; nonlinear optical materials; borates; atomic response theory; partial response functional
TL;DR: The second harmonic generation (SHG) responses of non-isostructural nonlinear optical (NLO) compounds were examined by DFT calculations, and the contributions of their individual cations and anions were determined by performing the atomic response theory analyses. (via Semantic Scholar)
Source: Web Of Science
Added: March 23, 2020

2020 journal article

Magneto-Optical Kerr Switching Properties of (CrI3)(2) and (CrBr3/CrI3) Bilayers

ACS APPLIED ELECTRONIC MATERIALS, 2(5), 1373–1380.

author keywords: two-dimensional magnetic materials; Kerr effect; density functional theory calculations; magnetic symmetry; spin-orbit and spin texture; switching properties; antiferromagnetic spintronics
Source: Web Of Science
Added: June 22, 2020

2020 journal article

Molybdenum Nitride Electrocatalysts for Hydrogen Evolution More Efficient than Platinum/Carbon: Mo2N/CeO2@Nickel Foam

ACS APPLIED MATERIALS & INTERFACES, 12(26), 29153–29161.

By: C. Wang*, X. Lv*, P. Zhou*, X. Liang*, Z. Wang*, Y. Liu*, P. Wang*, Z. Zheng* ...

author keywords: hydrogen evolution reaction; self-supported electrode; Mo2N; CeO2; oxygen vacancy
TL;DR: After a long-time electrochemical stability test for 24 h at a fixed current density, the overpotential needed to attain the current density of 10 mA/cm2 is increased only by 6 mV, implying the huge potential of this method to prepare super HER activity electrode for water splitting. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: July 27, 2020

2020 journal article

On Ferro- and Antiferro-Spin-Density Waves Describing the Incommensurate Magnetic Structure of NaYNiWO6

INORGANIC CHEMISTRY, 59(24), 17856–17859.

TL;DR: The incommensurate magnetic structure of NaYNiWO6 exhibits unconventional spin-density waves (SDWs) along the [100] direction, in which up and down spins alternate in each half-wave, in contrast to conventional SDWs, which only one type of spin is present in eachhalf-wave. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: February 1, 2021

2020 journal article

Orbital Magnetic Moments of the High-Spin Co2+ Ions at Axially-Elongated Octahedral Sites: Unquenched as Reported from Experiment or Quenched as Predicted by Theory?

INORGANIC CHEMISTRY, 59(24), 18319–18324.

By: H. Koo*, R. Kremer* & M. Whangbo n

TL;DR: The work shows that the orbital moments of the Co2+ ions are essentially quenched and, hence, that the observations of the neutron diffraction studies are not explained by the current theory of magnetic moments. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: February 1, 2021

2020 journal article

Peculiarities of magnetic ordering in the S=5/2 two-dimensional square-lattice antimonate NaMnSbO4

PHYSICAL REVIEW B, 101(5).

Source: Web Of Science
Added: March 23, 2020

2020 journal article

Physical Properties of Molecules and Condensed Materials Governed by Onsite Repulsion, Spin-Orbit Coupling and Polarizability of their Constituent Atoms

Molecules, 25(4), 867.

By: P. Maggard n, X. Chen*, S. Deng* & M. Whangbo n

author keywords: onsite repulsion; spin-orbit coupling; polarizability; Aufbau principle; periodic table
MeSH headings : Electrons; Elements; Ions; Periodicity; Quantum Theory; Spin Labels; Static Electricity; Thermodynamics
TL;DR: The onsite repulsion, spin–orbit coupling and polarizability of elements and their ions play important roles in controlling the physical properties of molecules and condensed materials. (via Semantic Scholar)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: April 14, 2020

2020 journal article

Second harmonic generation responses of KH2PO4: importance of K and breaking down of Kleinman symmetry

RSC ADVANCES, 10(44), 26479–26485.

Source: Web Of Science
Added: August 3, 2020

2020 journal article

Synthesis of the Elusive S=1/2 Star Structure: A Possible Quantum Spin Liquid Candidate

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 142(11), 5013–5016.

TL;DR: Based on the magnetic susceptibility and heat capacity measurements, the Cu-based compound exhibits antiferromagnetic interactions but no magnetic ordering or spin freezing down to 2 K, and appears to be a promising quantum spin liquid candidate. (via Semantic Scholar)
Source: Web Of Science
Added: May 8, 2020

2020 journal article

Ternary selenides A(2)Sb(4)Se(8) (A = K, Rb and Cs) as an n-type thermoelectric material with high power factor and low lattice thermal conductivity: importance of the conformationally flexible Sb-Se-Se-Sb bridges

RSC ADVANCES, 10(24), 14415–14421.

By: C. Lee*, S. Kim*, W. Son*, J. Shim* & M. Whangbo n

Source: Web Of Science
Added: May 8, 2020

2020 journal article

The partition principles for atomic-scale structures and their physical properties: application to the nonlinear optical crystal material KBe2BO3F2

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 22(34), 19299–19306.

By: Z. Cai*, X. Cheng*, M. Whangbo n, M. Hong* & S. Deng*

TL;DR: The general principles for partitioning a structure and its properties in terms of a set of atoms and bonds are developed by analyzing the differential cross-sections of neutron and X-ray scattering phenomena and the procedures with which to partition an extended structure andIts properties are proposed. (via Semantic Scholar)
Source: Web Of Science
Added: September 28, 2020

2020 journal article

Two-dimensional magnetism in alpha-CuV2O6

PHYSICAL REVIEW B, 102(1).

UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: August 3, 2020

2019 journal article

Dependence of the Second-Harmonic Generation Response on the Cell Volume to Band-Gap Ratio

INORGANIC CHEMISTRY, 58(15), 9572–9575.

By: X. Cheng*, M. Whangbo n, M. Hong* & S. Deng*

TL;DR: The second-harmonic generation coefficients of 12 nonlinear optical chalcopyrites, ABC2 were calculated by first-principles methods to find that given the primitive cell volume V and the band gap Eg of ABC2, the SHG coefficients dav increase almost linearly with increasing value of V/Eg. (via Semantic Scholar)
Source: Web Of Science
Added: September 3, 2019

2019 journal article

Effect of Nonmagnetic Ion Deficiency on Magnetic Structure: Density Functional Study of Sr2MnO2Cu2-xTe2, Sr2MO2Cu2Te2 (M = Co, Mn), and the Oxide-Hydrides Sr2VO3H, Sr3V2O5H2, and SrVO2H

INORGANIC CHEMISTRY, 58(21), 14769–14776.

By: H. Koo* & M. Whangbo n

TL;DR: The study reveals that the V3+ ions in all three oxide-hydrides should have the spin orientation parallel to the H-V-H bond, and shows that thespin orientation of the magnetic ions in an antiferromagnetically coupled perovskite layer cannot be altered by the magnetic ion vacancies of higher oxidation that result from trace vacancies at the nonmagnetic ion sites. (via Semantic Scholar)
Source: Web Of Science
Added: November 25, 2019

2019 journal article

Effect of the intra- and inter-triazine N-vacancies on the photocatalytic hydrogen evolution of graphitic carbon nitride

CHEMICAL ENGINEERING JOURNAL, 369, 263–271.

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: April 22, 2019

2019 journal article

Electronic and Structural Factors Controlling the Spin Orientations of Magnetic Ions

Inorganic Chemistry, 58(18), 11854–11874.

By: M. Whangbo n, H. Xiang*, H. Koo*, E. Gordon* & J. Whitten n

TL;DR: This minireview examines the structural and electronic factors governing the preferred spin orientations of magnetic ions in ML n complexes in terms of qualitative perturbation theory. (via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Sources: Web Of Science, Crossref, NC State University Libraries
Added: October 7, 2019

2019 journal article

Enhanced selectivity and activity for electrocatalytic reduction of CO2 to CO on an anodized Zn/carbon/Ag electrode

JOURNAL OF MATERIALS CHEMISTRY A, 7(28), 16685–16689.

By: Y. Gao*, F. Li*, P. Zhou*, Z. Wang*, Z. Zheng*, P. Wang*, Y. Liu*, Y. Dai*, M. Whangbo n, B. Huang*

UN Sustainable Development Goal Categories
13. Climate Action (Web of Science)
Source: Web Of Science
Added: August 5, 2019

2019 journal article

Improving the photocatalytic hydrogen evolution of UiO-67 by incorporating Ce4+-coordinated bipyridinedicarboxylate ligands

SCIENCE BULLETIN, 64(20), 1502–1509.

author keywords: MOFs; UiO-67; Bipyridine-tetravalent cerium; Photocatalytic hydrogen evolution; Energy transfer
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: November 18, 2019

2019 journal article

Perovskite photocatalyst CsPbBr3-xIx with a bandgap funnel structure for H-2 evolution under visible light

APPLIED CATALYSIS B-ENVIRONMENTAL, 245, 522–527.

author keywords: All-inorganic perovskite; Photocatalysis; Halide gradient; Bandgap funnel; Hydrogen evolution
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: May 28, 2019

2019 journal article

Selective photocatalytic conversion of alcohol to aldehydes by singlet oxygen over Bi-based metal-organic frameworks under UV-vis light irradiation

APPLIED CATALYSIS B-ENVIRONMENTAL, 254, 463–470.

author keywords: Excitons; Singlet oxygen; Bi-based MOFs; Photocatalysis; Selective oxidation
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: July 15, 2019

2019 journal article

Synthesis and Characterization of Sodium-Iron Antimonate Na2FeSbO5: One-Dimensional Antiferromagnetic Chain Compound with a Spin-Glass Ground State

INORGANIC CHEMISTRY, 58(17), 11333–11350.

By: S. Uma*, T. Vasilchikova*, A. Sobolev*, G. Raganyan*, A. Sethi*, H. Koo*, M. Whangbo n, I. Presniakov* ...

Source: Web Of Science
Added: September 23, 2019

2019 journal article

The Conceptual Dilemma of the One-Electron Picture in Describing the Uniaxial Magnetism at Linear Coordination Sites

European Journal of Inorganic Chemistry, 2019(21), 2630–2634.

By: H. Koo n, E. Kasapbasi*, J. Whitten n & M. Whangbo n

author keywords: Uniaxial magnetism; Linear coordination; One-electron picture; Iron; Cobalt
UN Sustainable Development Goal Categories
Sources: Web Of Science, Crossref, NC State University Libraries
Added: July 1, 2019

2019 journal article

Triple-Kagome-Layer Slabs of Mixed-Valence Rare-Earth Ions Exhibiting Quantum Spin Liquid Behaviors: Synthesis and Characterization of Eu9MgS2B20O41

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 141(24), 9533–9536.

By: Y. Chi, J. Xu*, H. Xue*, Y. Zhang*, X. Chen*, M. Whangbo n, S. Guo*, S. Deng*

TL;DR: A new rare-earth compound is prepared, Eu9MgS2B20O41 (EMSBO), and its structural and physical properties exhibit very similar features characteristic of quantum spin liquid behaviors observed in other materials. (via Semantic Scholar)
Source: Web Of Science
Added: July 8, 2019

2018 journal article

Co3O4 nanobelt arrays assembled with ultrathin nanosheets as highly efficient and stable electrocatalysts for the chlorine evolution reaction

JOURNAL OF MATERIALS CHEMISTRY A, 6(26), 12718–12723.

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2018 journal article

Comparison of the electronic and thermoelectric properties of three layered phases Bi2Te3, PbBi2Te4 and PbBi4Te7: LEGO thermoelectrics

AIP ADVANCES, 8(11).

By: C. Lee*, J. Kim*, J. Tak*, H. Cho*, J. Shim*, Y. Lim*, M. Whangbo n

Source: Web Of Science
Added: December 17, 2018

2018 journal article

Composite of CH3NH3PbI3 with reduced graphene oxide as a highly efficient and stable visible-light photocatalyst for hydrogen evolution in aqueous HI solution

Advanced Materials, 30(7).

By: Y. Wu, P. Wang, X. Zhu, Q. Zhang, Z. Wang, Y. Liu, G. Zou, Y. Dai, M. Whangbo, B. Huang

Source: NC State University Libraries
Added: August 6, 2018

2018 journal article

Endotaxial growth of [100]-oriented TaON films on LiTaO3 single crystals for enhanced photoelectrochemical water splitting

Solar RRL, 2(6).

By: H. Li, B. Zhang, Z. Wang, P. Wang, Y. Liu, X. Zhang, X. Qin, Y. Dai, M. Whangbo, B. Huang

Source: NC State University Libraries
Added: August 6, 2018

2018 journal article

Enhancing the Photocatalytic Hydrogen Evolution Activity of Mixed-Halide Perovskite CH3NH3PbBr3-xIx Achieved by Bandgap Funneling of Charge Carriers

ACS CATALYSIS, 8(11), 10349–10357.

author keywords: perovskite; photocatalysis; halide gradient; bandgap funneling; hydrogen evolution
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: December 3, 2018

2018 journal article

Interband Electron Pairing for Superconductivity from the Breakdown of the Born-Oppenheimer Approximation

CHEMPHYSCHEM, 19(23), 3191–3195.

By: M. Whangbo*, S. Deng*, J. Koehler & A. Simon*

author keywords: Born-Oppenheimer approximation; Fermi surfaces; interband electron pairing; multiband superconductivity; metals
TL;DR: It is shown that interband electron pairing is a natural consequence of breaking down the Born-Oppenheimer approximation during electron-phonon interactions, and its strength is determined by the pair-state excitations around the Fermi surfaces that take place to form a superconducting state. (via Semantic Scholar)
Source: Web Of Science
Added: December 31, 2018

2018 journal article

Low-Dimensional Magnetic Properties of Natural and Synthetic Mixite (Bi,Ca)Cu-6(OH)(6)(AsO4)(3)center dot nH(2)O (n approximate to 3) and Goudeyite YCu6(OH)(6)(AsO4)(3)center dot nH(2)O (n approximate to 3)

ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 644(24), 1782–1790.

By: A. Golubev*, E. Bruecher, A. Schulz*, R. Kremer*, F. Schmidt*, E. Gordon n, M. Whangbo n

author keywords: Cu minerals; Mixite; Goudeyite; Magnetic properties; Low-dimensional antiferromagnet; Alternating Heisenberg chain
Source: Web Of Science
Added: January 14, 2019

2018 journal article

Magnetic excitations of the Cu2+ quantum spin chain in Sr3CuPtO6

PHYSICAL REVIEW B, 97(10).

By: J. Leiner*, J. Oh*, A. Kolesnikov, M. Stone*, M. Le*, E. Kenny*, B. Powell*, M. Mourigal* ...

Source: Web Of Science
Added: August 6, 2018

2018 journal article

Nonequivalent Spin Exchanges of the Hexagonal Spin Lattice Affecting the Low-Temperature Magnetic Properties of RInO3 (R = Gd, Tb, Dy): Importance of Spin-Orbit Coupling for Spin Exchanges between Rare-Earth Cations with Nonzero Orbital Moments

INORGANIC CHEMISTRY, 57(15), 9260–9265.

TL;DR: DFT calculations for RInO3 carried out to explore if their low-temperature magnetic properties are related to the two nonequivalent nearest-neighbor (NN) spin exchanges of their hexagonal spin lattices predict that the orbital moments of the Tb3+ and Dy3+ ions are smaller than their free-ion values by ∼2μB while the T b3+ spins have an in-plane magnetic anisotropy, in agreement with the experiments. (via Semantic Scholar)
Source: Web Of Science
Added: October 16, 2018

2018 journal article

Spin-Density Wave as a Superposition of Two Magnetic States of Opposite Chirality and Its Implications

INORGANIC CHEMISTRY, 57(16), 9782–9785.

By: E. Gordon n, S. Derakhshan*, C. Thompson* & M. Whangho

TL;DR: A magnetic solid with weak spin frustration tends to adopt a noncollinear magnetic structure such as a cycloidal structure below a certain temperature and a spin-density wave (SDW) slightly above this temperature, and whether a SDW is transversal or longitudinal is governed by the magnetic anisotropy of magnetic ions. (via Semantic Scholar)
Source: Web Of Science
Added: October 19, 2018

2018 journal article

Stabilizing the titanium-based metal organic frameworks in water by metal cations with empty or partially-filled d orbitals

JOURNAL OF COLLOID AND INTERFACE SCIENCE, 533, 9–12.

author keywords: Ti-based MOFs; Enhancing the stability in water; Metal cations with empty or partially-filled; d orbitals
TL;DR: The stability of Ti-ATA in water is greatly improved nearly without affecting its porosity and photocatalytic activity by treating it with aqueous solutions containing metal ions of empty d orbitals (Y3+, La3+, Ce3+, Nd3+ and Tm3+) or partially-filled d orbital (Cr3+). (via Semantic Scholar)
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation (OpenAlex)
Source: Web Of Science
Added: November 12, 2018

2018 journal article

The Large Second-Harmonic Generation of LiCs2PO4 is caused by the Metal-Cation-Centered Groups

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 57(15), 3933–3937.

author keywords: nonlinear optics; LiCs2PO4; partial response functional; second harmonic generation
TL;DR: The individual atom contributions to the second harmonic generation (SHG) coefficients of LiCs2 PO4 (LCPO) are evaluated by introducing the partial response functionals on the basis of first principles calculations. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2017 journal article

A comprehensive study of magnetic exchanges in the layered oxychalcogenides Sr(3)Fe(2)O(5)Cu(2)Q(2) (Q = S, Se)

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 444, 147–153.

author keywords: Layered oxychalcogenides; Antiferromagnetism; Mossbauer; Neutron diffraction; Magnetic structure
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2017 journal article

Adsorption of gaseous ethylene via induced polarization on plasmonic photocatalyst Ag/AgCl/TiO2 and subsequent photodegradation

APPLIED CATALYSIS B-ENVIRONMENTAL, 220, 356–361.

author keywords: Surface plasmon resonance (SPR); Electric field; Induced polarization; Plasmonic photocatalyst; Nonpolar ethylene
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2017 journal article

Continual injection of photoinduced electrons stabilizing surface plasmon resonance of non-elemental-metal plasmonic photocatalyst CdS/WO3-x for efficient hydrogen generation

APPLIED CATALYSIS B-ENVIRONMENTAL, 226, 10–15.

author keywords: Non-elemental-metal plasmonic material; Surface plasmon resonance; Electron injection; Photocatalysis; Hydrogen generation
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2017 journal article

Enhancing the photocatalytic activity of BiOX (X = Cl, Br, and I), (BiO)(2)CO3 and Bi2O3 by modifying their surfaces with polar organic anions, 4-substituted thiophenolates

JOURNAL OF MATERIALS CHEMISTRY A, 5(27), 14406–14414.

By: B. Xu*, Y. An*, Y. Liu*, X. Qin*, X. Zhang*, Y. Dai*, Z. Wang*, P. Wang*, M. Whangbo n, B. Huang*

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2017 journal article

Fine-Tuning the Properties of Doped Multifunctional Materials by Controlled Reduction of Dopants

CHEMISTRY-A EUROPEAN JOURNAL, 23(13), 2998–3001.

By: H. Barroux*, T. Jiang*, C. Paul*, F. Massuyeau*, R. Geois, E. Gordon n, M. Whangbo n, S. Jobic*, R. Gautier*

author keywords: biomedicine; dopants; luminescence; multifunctional materials; visible/near-IR absorption
TL;DR: A strategy that enables the fine-tuning of a specific combination of properties by controlling the reduction of dopants is presented, demonstrated by optimizing the near-IR photoluminescence of strontium titanate SrTiO3 :Ni for potential applications in biomedicine for a range of absorbance in the visible/near-IR region. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2017 journal article

Group of Quantum Bits Acting as a Bit Using a Single-Domain Ferromagnet of Uniaxial Magnetic Ions

CHEMPHYSCHEM, 18(16), 2147–2150.

By: E. Gordon n, H. Koo*, S. Deng*, J. Koehler & M. Whangbo n

author keywords: ferromagnets; group bits; perovskites; quantum bits; spin-orbit coupling
TL;DR: This work considered the possibility of using a group of qbits that act collectively as a bit (hereafter, a group bit or a gbit), and probed the requirements for such magnets and identified several 2H-perovskites as materials satisfying these requirements. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2017 journal article

Interaction of tantalum, titanium and phosphorus at 1070 K: Phase diagram and structural chemistry

JOURNAL OF ALLOYS AND COMPOUNDS, 732, 777–783.

By: Y. Lomnytska*, M. Dzevenko*, V. Babizhetskyy*, O. Toma*, O. Smolyak*, E. Gordon n, M. Whangbo n, J. Koehler

author keywords: Phase diagram; Transition metal alloys and compounds; Crystal structure; Electronic band structure; X-ray diffraction
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2017 journal article

Magnetic field-temperature phase diagram of multiferroic [(CH3)(2)NH2]Mn(HCOO)(3)

PHYSICAL REVIEW B, 96(10).

Source: Web Of Science
Added: August 6, 2018

2017 journal article

Magnetic phase transitions and magnetoelastic coupling in S=1/2 Heisenberg antiferromagnets

PHYSICAL REVIEW B, 95(10).

By: A. al-Wahish*, K. O'Neal*, C. Lee*, S. Fan*, K. Hughey*, M. Yokosuk*, A. Clune*, Z. Li* ...

Source: Web Of Science
Added: August 6, 2018

2017 journal article

Multigap Superconductivity at Extremely High Temperature: A Model for the Case of Pressurized H2S

JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM, 30(1), 151–156.

By: A. Bussmann-Holder*, J. Koehler, A. Simon*, M. Whangbo n & A. Bianconi*

author keywords: Pressurized H2S; Multigap superconductivity; Isotope effect
Source: Web Of Science
Added: August 6, 2018

2017 journal article

Oxygen-Vacancy-Induced Midgap States Responsible for the Fluorescence and the Long-Lasting Phosphorescence of the Inverse Spinel Mg(Mg,Sn)O-4

CHEMISTRY OF MATERIALS, 29(3), 1069–1075.

By: G. Behrh*, M. Isobe*, F. Massuyeau*, H. Serier-Brault*, E. Gordon n, H. Koo*, M. Whangbo n, R. Gautier*, S. Jobic*

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2017 journal article

Photocatalytic reduction of CO2 to methanol by three-dimensional hollow structures of Bi2WO6 quantum dots

APPLIED CATALYSIS B-ENVIRONMENTAL, 219, 209–215.

By: Z. Jiang*, X. Liang*, H. Zheng*, Y. Liu*, Z. Wang*, P. Wang*, X. Zhang*, X. Qin* ...

author keywords: Bi2WO6; Hollow structure; Photocatalysts; CO2 photoconversion; Quantum size effect
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2017 journal article

Roles of reaction kinetics of CO2 on a PrBaCo2O5.5+delta surfaces

RSC ADVANCES, 7(64), 40558–40562.

Source: Web Of Science
Added: August 6, 2018

2017 journal article

Seebeck Coefficients of Layered BiCuSeO Phases: Analysis of Their Hole-Density Dependence and Quantum Confinement Effect

CHEMISTRY OF MATERIALS, 29(5), 2348–2354.

By: C. Lee*, T. An*, E. Gordon n, H. Ji*, C. Park*, J. Shim*, Y. Lim*, M. Whangbo n

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2017 journal article

Single-Domain Ferromagnet of Noncentrosymmetric Uniaxial Magnetic Ions and Magnetoelectric Interaction

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 56(34), 10196–10199.

By: H. Koo*, E. Gordon n & M. Whangbo n

author keywords: ferromagnets; loss of inversion symmetry; magnetoelectric interaction; spin-orbit coupling; uniaxial magnetic ion
TL;DR: It is shown that μ and p prefer an antiparallel arrangement, predict that Fe-doped CaZnOS is a single-domain ferromagnet like a bar magnet, and find the probable cause for the ferromaagnetism and weak magnetization hysteresis in Fe- doped hexagonal ZnO and ZnS at very low dopant concentrations. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2017 journal article

Structural and Magnetic Properties of the Trirutile-type 1D-Heisenberg Anti-Ferromagnet CuTa2O6

INORGANIC CHEMISTRY, 56(11), 6318–6329.

TL;DR: GGA+U density functional calculations of the spin-exchange parameters as well as magnetic susceptibility and isothermal magnetization measurements reveal that CuTa2O6 is a new 1D Heisenberg magnet with predominant anti-ferromagnetic nearest-neighbor intrachain spin-Exchange interaction of ∼50 K. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2017 journal article

Superconductivity Induced by Oxygen Doping in Y2O2Bi

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 56(34), 10123–10126.

By: X. Cheng*, E. Gordon n, M. Whangbo n & S. Deng*

author keywords: band structure; first-principles calculations; flat band; superconductivity; yttrium bismuth oxide
TL;DR: The condition necessary for the "flat/steep" band model for superconductivity is satisfied in O-doped Y2 O2 Bi, and the preferred sites for doped O atoms are the centers of Bi4 squares in the Bi square net. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2016 journal article

An efficient visible-light photocatalyst made from a nonpolar layered semiconductor by grafting electron-withdrawing organic molecules to its surface

CHEMICAL COMMUNICATIONS, 52(92), 13507–13510.

By: B. Xu*, Y. An*, Y. Liu*, B. Huang*, X. Qin*, X. Zhang*, Y. Dai*, M. Whangbo n

TL;DR: An in-depth study finds a correlation between the apparent rate constant (kapp) and the Hammett constants σpara of the 4-substituted groups. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2016 review

Analogies between Jahn-Teller and Rashba spin physics

[Review of ]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 116(20), 1442–1450.

author keywords: Jahn-Teller; orbital ordering; Rashba; Dresselhaus; spin-orbit; spin texture
Source: Web Of Science
Added: August 6, 2018

2016 journal article

Bonding Scheme, Hydride Character, and Magnetic Paths of (HPO3)(2-) Versus (SeO3)(2-) Building Units in Solids

JOURNAL OF PHYSICAL CHEMISTRY C, 120(3), 1650–1656.

Source: Web Of Science
Added: August 6, 2018

2016 journal article

Competing Jahn-Teller distortions and hydrostatic pressure effects in the quasi-one-dimensional quantum ferromagnet CuAs2O4

PHYSICAL REVIEW B, 93(2).

By: K. Caslin*, R. Kremer*, F. Razavi*, M. Hanfland*, K. Syassen*, E. Gordon n, M. Whangbo n

Source: Web Of Science
Added: August 6, 2018

2016 journal article

Condensed-matter equation of states covering a wide region of pressure studied experimentally

Scientific Reports, 6.

By: E. Gordon, J. Kohler & M. Whangbo

Source: NC State University Libraries
Added: August 6, 2018

2016 journal article

Enhancing the Photocatalytic Activity of BiVO4 for Oxygen Evolution by Ce Doping: Ce3+ Ions as Hole Traps

JOURNAL OF PHYSICAL CHEMISTRY C, 120(4), 2058–2063.

By: Z. Jiang, Y. Liu, T. Jing, B. Huang, X. Zhang, X. Qin, Y. Dai, M. Whangbo n

UN Sustainable Development Goal Categories
6. Clean Water and Sanitation (Web of Science; OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2016 journal article

Magnetic structure of (C5H12N)CuBr3: origin of the uniform Heisenberg chain behavior and the magnetic anisotropy of the Cu2+ (S=1/2) ions

RSC ADVANCES, 6(27), 22722–22727.

Source: Web Of Science
Added: August 6, 2018

2016 journal article

Possibility of combining ferroelectricity and Rashba-like spin splitting in monolayers of the 1T-type transition-metal dichalcogenides MX2 (M = Mo, W; X = S, Se, Te)

PHYSICAL REVIEW B, 94(19).

By: E. Bruyer*, D. Di Sante*, P. Barone*, A. Stroppa, M. Whangbo n & S. Picozzi

Source: Web Of Science
Added: August 6, 2018

2016 journal article

Spin orientations of the spin-half Ir4+ ions in Sr3NiIrO6, Sr2IrO4, and Na2IrO3: Density functional, perturbation theory, and Madelung potential analyses

Journal of Chemical Physics, 144(11).

By: E. Gordon, H. Xiang, J. Kohler & M. Whangbo

Source: NC State University Libraries
Added: August 6, 2018

2016 journal article

Spin-Lattice Coupling in [Ni(HF2)(pyrazine)(2)]SbF6 Involving the HF2- Superexchange Pathway

INORGANIC CHEMISTRY, 55(23), 12172–12178.

TL;DR: It is found that HF2- is surprisingly sensitive to external stimuli and is actively involved in both the magnetic quantum phase transition and the series of pressure-induced structural distortions. (via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2016 journal article

Structure and Composition of the 200K-Superconducting Phase of H2S at Ultrahigh Pressure: The Perovskite (SH-)(H3S+)

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 55(11), 3682–3684.

By: E. Gordon n, K. Xu*, H. Xiang*, A. Bussmann-Holder*, R. Kremer*, A. Simon*, J. Koehler, M. Whangbo n

author keywords: electronic structure; high-pressure chemistry; hydrogen sulfide; perovskite phases; superconductors
TL;DR: DFT calculations show that the perovskite (SH(-) )(H3 S(+) ) is thermodynamically more stable than the Im3‾ m structure of H3 S, and suggest that the A site hydrogen atoms are most likely fluxional even at Tc  . (via Semantic Scholar)
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2015 journal article

Atomically layer-by-layer diffusion of oxygen/hydrogen in highly epitaxial PrBaCo2O5.5+delta thin films

Applied Physics Letters, 107(24).

By: S. Bao, X. Xu, E. Enriquez, B. Mace, G. Chen, S. Kelliher, C. Chen, Y. Zhang ...

Source: NC State University Libraries
Added: August 6, 2018

2015 journal article

Catalytic Dynamics and Oxygen Diffusion in Doped PrBaCo2O5.5+delta Thin Films

ACS APPLIED MATERIALS & INTERFACES, 7(43), 24353–24359.

author keywords: transport properties; ion diffusion; surface catalysis; PrBaCo2O5+delta; MIEC
TL;DR: Th thin films of LnBCO (Ln = lanthanide) with their A and B sites doped as in PBSCFO are excellent candidates for the development of low or intermediate temperature energy conversion devices and gas sensor applications. (via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (Web of Science; OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2015 journal article

Crucial Role of Site Disorder and Frustration in Unusual Magnetic Properties of Quasi-2D Triangular Lattice Antimonate Na4FeSbO6

APPLIED MAGNETIC RESONANCE, 46(10), 1121–1145.

By: E. Zvereva*, I. Presniakov*, M. Whangbo n, H. Koo*, T. Frantsuzenko*, O. Savelieva*, A. Sobolev*, V. Nalbandyan* ...

Source: Web Of Science
Added: August 6, 2018

2015 journal article

Density Functional Characterization of the Electronic Structures and Band Bending of Rutile RuO2/TiO2(110) Heterostructures

JOURNAL OF PHYSICAL CHEMISTRY C, 119(22), 12394–12399.

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2015 journal article

Emergence of ferroelectricity and spin-valley properties in two-dimensional honeycomb binary compounds

PHYSICAL REVIEW B, 91(16).

By: D. Di Sante*, A. Stroppa, P. Barone, M. Whangbo n & S. Picozzi

Source: Web Of Science
Added: August 6, 2018

2015 journal article

Enhancing the Efficiency of Water Oxidation by Boron-Doped BiVO4 under Visible Light: Hole Trapping by BO4 Tetrahedra

CHEMPLUSCHEM, 80(7), 1113–1118.

author keywords: boron; doping; oxidation; photochemistry; vanadium
TL;DR: Boron-doped monoclinic and tetragonal phases of BiVO4 were prepared by using the urea precipitation method, and the visible-light photocatalytic activities of pristine and boron/BO4 tetrahedra for oxygen generation from water were compared. (via Semantic Scholar)
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation (Web of Science; OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2015 journal article

Insights into How Fluorine-Adsorption and n-Type Doping Affect the Relative Stability of the (001) and (101) Surfaces of TiO2: Enhancing the Exposure of More Active but Thermodynamically Less Stable (001)

JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 6(10), 1876–1882.

By: X. Ma*, Y. Dai*, W. Wei*, B. Huang* & M. Whangbo n

TL;DR: It is shown that the n-type doping in TiO2 can significantly decrease the ability of F-adsorption in switching the relative stability of the two surfaces, which provides new insights into the physical and chemical properties about both pure and F-ADSorbed surfaces ofTiO2. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2015 journal article

Loss of Linear Band Dispersion and Trigonal Structure in Silicene on Ir(111)

JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 6(6), 1065–1070.

By: W. Wei*, Y. Dai*, B. Huang*, M. Whangbo n & T. Jacob*

TL;DR: It is found that Ir(111) preserves the 2D character of silicene but significantly distorts its structure from the trigonal one expected for an isolated silicen, but exhibits a hidden linear-dispersive band, which is related to the linear- Dispersive conduction band of an isolatedsilicene. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2015 journal article

New Phase of MnSb2O6 Prepared by Ion Exchange: Structural, Magnetic, and Thermodynamic Properties

INORGANIC CHEMISTRY, 54(4), 1705–1711.

TL;DR: A new layered trigonal form of MnSb2O6 is prepared by ion-exchange reaction between ilmenite-type NaSbO3 and MnSO4-KCl-KBr melt at 470 °C, characterized by Rietveld analysis of the X-ray diffraction pattern, electron microprobe analysis, magnetic susceptibility, specific heat, and ESR measurements as well as by density functional theory calculations. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2015 journal article

On Structural Features Necessary for Near-IR-Light Photocatalysts

CHEMISTRY-A EUROPEAN JOURNAL, 21(39), 13583–13587.

author keywords: copper; DFT analysis; near IR light; photocatalysis; polyhedra
TL;DR: In the search for photocatalysts that can directly utilize near-IR (NIR) light, three oxides are investigated by photodecomposing 2,4-dichlorophenol over them under NIR irradiation and by comparing their electronic structures with that of the known NIR photocatalyst Cu2(OH)PO4. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2015 journal article

On Why the Two Polymorphs of NaFePO4 Exhibit Widely Different Magnetic Structures: Density Functional Analysis

INORGANIC CHEMISTRY, 54(10), 4966–4971.

By: H. Kim*, I. Yu*, H. Kim*, H. Koo* & M. Whangbo n

TL;DR: This study shows that maricite-NaFePO4 is not spin-frustrated, that the ordered magnetic structure of triphylite- NaFePO3 is determined mainly by spin exchange, whereas that of maricITE-Na FePO4 are determined by both spin exchange and magnetic anisotropy, and that the preferred spin orientations in the two polymorphs can be explained by perturbation theory using spin-orbit coupling as the perturbations. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2015 journal article

Organic-inorganic hybrid perovskites ABI(3) (A = CH3NH3, NH2CHNH2; B = Sn, Pb) as potential thermoelectric materials: a density functional evaluationt

RSC ADVANCES, 5(96), 78701–78707.

By: C. Lee n, J. Hong*, A. Stroppa*, M. Whangbo n & J. Shim*

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2015 journal article

Pair Distribution Function and Density Functional Theory Analyses of Hydrogen Trapping by gamma-MnO2

INORGANIC CHEMISTRY, 54(4), 1194–1196.

By: K. Galliez*, P. Deniard*, C. Payen*, D. Lambertin*, F. Bart*, H. Koo*, M. Whangbo n, S. Jobic*

TL;DR: The course of this reaction was examined by analyzing the X-ray diffraction patterns of the HxMnO2/"Ag2O" system on the basis of pair distribution function and density functional theory (DFT) analyses and shows that this process is thermodynamically favorable. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2015 review

Prediction of Spin Orientations in Terms of HOMO-LUMO Interactions Using Spin-Orbit Coupling as Perturbation

[Review of ]. ACCOUNTS OF CHEMICAL RESEARCH, 48(12), 3080–3087.

By: M. Whangbo n, E. Gordon n, H. Xiang*, H. Koo* & C. Lee*

TL;DR: A conceptual framework of thinking about and predicting the preferred spin orientation of a magnetic ion is provided by examining the relationship between the spin orientation and the local electronic structure of the ion. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2015 journal article

Spin excitations in the two-dimensional strongly coupled dimer system malachite

PHYSICAL REVIEW B, 91(6).

By: E. Canevet*, B. Fak*, R. Kremer*, J. Chun*, M. Enderle*, E. Gordon n, J. Bettis n, M. Whangbo n, J. Taylor*, D. Adroja*

Source: Web Of Science
Added: August 6, 2018

2015 journal article

Synthesis and characterization of ZnS with controlled amount of S vacancies for photocatalytic H-2 production under visible light

Scientific Reports, 5.

By: G. Wang, B. Huang, Z. Li, Z. Lou, Z. Wang, Y. Dai, M. Whangbo

Source: NC State University Libraries
Added: August 6, 2018

2015 journal article

Synthesis of the Layered Quaternary Uranium-Containing Oxide Cs2Mn3U6O22 and Characterization of its Magnetic Properties

INORGANIC CHEMISTRY, 54(11), 5495–5503.

By: C. Read*, E. Gordon n, M. Smith*, J. Yeon*, G. Morrison*, M. Whangbo n, H. Loye*

TL;DR: A layered quaternary uranium-containing oxide, Cs2Mn3U6O22, was crystallized from a cesium chloride flux to form a new structure type in the monoclinic space group, C2/m, leading to complex low-dimensional magnetic properties. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2015 journal article

Tolerance Factor and Cation-Anion Orbital Interactions Differentiating the Polar and Antiferrodistortive Structures of Perovskite Oxides ABO(3)

ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 641(6), 1043–1052.

By: M. Whangbo n, E. Gordon n, J. Bettis n, A. Bussmann-Holder n & J. Koehler

author keywords: Perovskite; Polar structure; Antiferrodistortive structure; Jahn-Teller instability; Cation-anion interaction; Tolerance factor
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2015 journal article

Unexpected Precursor Effects to the Structural Phase Transition in EuTiO3

ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 641(2), 180–183.

By: A. Bussmann-Holder*, J. Koehler & M. Whangbo n

author keywords: Multiferroics; Magnetic properties; Dielectrics
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2014 journal article

Ag6Si2O7: a Silicate Photocatalyst for the Visible Region

CHEMISTRY OF MATERIALS, 26(13), 3873–3875.

By: Z. Lou, B. Huang, Z. Wang, X. Ma, R. Zhang, X. Zhang, X. Qin, Y. Dai, M. Whangbo n

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2014 journal article

Analysis of the Difference between the Pyroxenes LiFeSi2O6 and LiFeGe2O6 in Their Spin Order, Spin Orientation, and Ferrotoroidal Order

CHEMISTRY OF MATERIALS, 26(4), 1745–1750.

By: C. Lee n, J. Kang n, J. Hong*, J. Shim* & M. Whangbo n

UN Sustainable Development Goal Categories
13. Climate Action (Web of Science)
14. Life Below Water (Web of Science)
Source: Web Of Science
Added: August 6, 2018

2014 journal article

Characterization of the spin-1/2 linear-chain ferromagnet CuAs2O4

PHYSICAL REVIEW B, 89(1).

By: K. Caslin*, R. Kremer*, F. Razavi*, A. Schulz*, A. Munoz*, F. Pertlik*, J. Liu n, M. Whangbo n, J. Law*

Source: Web Of Science
Added: August 6, 2018

2014 journal article

Crystal Structure and Magnetic Properties of FeSeO3F-Alternating Antiferromagnetic S=5/2 chains

INORGANIC CHEMISTRY, 53(8), 4250–4256.

By: S. Hu*, M. Johnsson*, J. Law*, J. Bettis n, M. Whangbo n & R. Kremer*

TL;DR: The new oxofluoride FeSeO3F, which is isostructural with FeTeO 3F and GaTeO3f, was prepared by hydrothermal synthesis, and its structure was determined by X-ray diffraction, and the magnetic properties were characterized by magnetic susceptibility and specific heat measurements. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2014 journal article

Density functional investigation of why Ba2BiFeS5 and Ba2SbFeS5 differ in their magnetic properties

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 360, 152–156.

By: H. Koo* & M. Whangbo n

author keywords: Ba2BiFe5; Ba2SbFe5; Spin exchange; Energy-mapping analysis; Spin frustration; DFT
Source: Web Of Science
Added: August 6, 2018

2014 journal article

Electron Hole Pair Generation of the Visible-Light Plasmonic Photocatalyst Ag@AgCl: Enhanced Optical Transitions Involving Midgap Defect States of AgCl

JOURNAL OF PHYSICAL CHEMISTRY C, 118(23), 12133–12140.

UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2014 journal article

Evaluating the Curie-Weiss Temperature of a Magnetic System Composed of Nonequivalent Magnetic Ions in Terms of Spin Exchange Constants

BULLETIN OF THE KOREAN CHEMICAL SOCIETY, 35(5), 1277–1278.

By: K. Lee, J. Lee, C. Lee* & M. Whangbo*

author keywords: Nonequivalent magnetic ions; Curie-Weiss temperature; Mean field theory; Spin exchange parameters; Density functional theory
Source: Web Of Science
Added: August 6, 2018

2014 journal article

Magnetic and electrode properties, structure and phase relations of the layered triangular-lattice tellurate Li4NiTeO6

JOURNAL OF SOLID STATE CHEMISTRY, 225, 89–96.

By: E. Zvereva*, V. Nalbandyan*, M. Evstigneeva*, H. Koo*, M. Whangbo n, A. Ushakov*, B. Medvedev*, L. Medvedeva ...

author keywords: Layered structure; Tellurate; Magnetic properties; Electron spin resonance; Electrode behavior; Lithium-ion cell
Source: Web Of Science
Added: August 6, 2018

2014 journal article

Magnetism of the Fe2+ and Ce3+ sublattices in Ce2O2FeSe2: A combined neutron powder diffraction, inelastic neutron scattering, and density functional study

PHYSICAL REVIEW B, 90(23).

Source: Web Of Science
Added: August 6, 2018

2014 journal article

Most spin-1/2 transition-metal ions do have single ion anisotropy

Journal of Chemical Physics, 141(12).

By: J. Liu, H. Koo, H. Xiang, R. Kremer & M. Whangbo

Source: NC State University Libraries
Added: August 6, 2018

2014 journal article

Solution phase post-modification of a trimesic acid network on Au(111) with Zn2+ ions

CHEMICAL COMMUNICATIONS, 51(5), 873–876.

By: J. Lee*, J. Kim*, H. Kim*, C. Rhee* & M. Whangbo n

TL;DR: Voltammetric determination of Zn coverage in the modified TMA network supports the fact that the chevron feature consists of three TMA molecules combined via two coordination bonds between Zn(2+) ions and carboxylates of TMA. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2014 journal article

Spin Exchange and Magnetic Dipole Dipole Interactions Leading to the Magnetic Superstructures of MAs2O6 (M = Mn, Co, Ni)

INORGANIC CHEMISTRY, 53(7), 3812–3817.

By: H. Koo* & M. Whangbo n

TL;DR: The three isostructural magnetic oxides MAs2O6 (M = Mn, Co, Ni) containing high-spin M(2+) ions undergo a long-range antiferromagnetic ordering below 30 K, but their ordered magnetic structures are not identical. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2014 journal article

Strain-induced quantum spin Hall effect in methyl-substituted germanane GeCH3

Scientific Reports, 4.

By: Y. Ma, Y. Dai, W. Wei, B. Huang & M. Whangbo

Source: NC State University Libraries
Added: August 6, 2018

2014 journal article

Strongly correlated one-dimensional magnetic behavior of NiTa2O6

PHYSICAL REVIEW B, 89(1).

By: J. Law*, H. Koo*, M. Whangbo n, E. Bruecher, V. Pomjakushin* & R. Kremer*

Source: Web Of Science
Added: August 6, 2018

2014 journal article

Tunable ferroelectric polarization and its interplay with spin-orbit coupling in tin iodide perovskites

Nature Communications, 5.

By: A. Stroppa, D. Di Sante, P. Barone, M. Bokdam, G. Kresse, C. Franchini, M. Whangbo, S. Picozzi

Source: NC State University Libraries
Added: August 6, 2018

2014 journal article

Two-Orbital Three-Electron Stabilizing Interaction for Direct Co2+ - As3+ Bonds involving Square-Planar CoO4 in BaCoAs2O5

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 53(12), 3111–3114.

By: R. David*, H. Kabbour*, A. Pautrat*, N. Touati*, M. Whangbo n & O. Mentre*

author keywords: arsenites; cobalt; electronic structure; molecular modeling; solid-state structures
TL;DR: This work shows that the novel compound BaCoAs2 O5, with lone-pair As(3+) ions, is built from rare square-planar Co(2+) O4 involved in direct bonding between As( 3+) E and Co( 2+) dz2 orbitals (Co-As=2.51 Å), and that the negligible experimental spin-orbit coupling is expected from the resulting molecular orbital scheme in O3 AsE-CoO4 clusters. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2014 journal article

Ultrafast atomic layer-by-layer oxygen vacancy-exchange diffusion in double-perovskite LnBaCo(2)O(5.5+delta) thin films

Scientific Reports, 4.

By: S. Bao, C. Ma, G. Chen, X. Xu, E. Enriquez, C. Chen, Y. Zhang, J. Bettis ...

Source: NC State University Libraries
Added: August 6, 2018

2014 journal article

Ultrafast chemical dynamic behavior in highly epitaxial LaBaCo2O5+delta thin films

JOURNAL OF MATERIALS CHEMISTRY C, 2(28), 5660–5666.

By: H. Wang*, S. Bao*, J. Liu*, G. Collins*, C. Ma, M. Liu*, C. Chen*, C. Dong* ...

Source: Web Of Science
Added: August 6, 2018

2013 journal article

A Contoured Network of Anionic Trimesic Acids on Au(111) and Its Host-Guest Chemistry

JOURNAL OF PHYSICAL CHEMISTRY C, 117(44), 22636–22643.

By: J. Kim*, C. Rhee*, H. Koo*, E. Kasapbasi* & M. Whangbo n

Source: Web Of Science
Added: August 6, 2018

2013 journal article

A Crucial Role of Bond Covalency Competition in Determining the Bandgap and Photocatalytic Performance of Silver Oxosalts

JOURNAL OF PHYSICAL CHEMISTRY C, 117(50), 26509–26516.

By: X. Jin*, I. Kim*, Y. Jo*, J. Bettis n, H. Koo*, M. Whangbo n, S. Hwang*

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2013 journal article

Across the Structural Re-Entrant Transition in BaFe2(PO4)(2): Influence of the Two-Dimensional Ferromagnetism

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 135(35), 13023–13029.

By: R. David*, A. Pautrat*, D. Filimonov*, H. Kabbour*, H. Vezin*, M. Whangbo n, O. Mentre*

TL;DR: EPR measurements show the presence of magnetic domains well above Tc, as expected for a ferromagnetic 2D Ising system, and support that the magnetism of BaFe2(PO4)2 is uniaxial (g⊥ = 0). (via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2013 journal article

Cu2(OH)PO4, a Near-Infrared-Activated Photocatalyst

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 52(18), 4810–4813.

author keywords: copper; nanocrystals; near-infrared light; photocatalysts; photochemistry
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation (Web of Science; OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2013 journal article

Dimethylammonium copper formate [(CH3)(2)NH2]Cu(HCOO)(3): A metal-organic framework with quasi-one-dimensional antiferromagnetism and magnetostriction

PHYSICAL REVIEW B, 87(22).

By: Z. Wang*, P. Jain*, K. Choi*, J. Tol*, A. Cheetham*, H. Kroto*, H. Koo*, H. Zhou* ...

Source: Web Of Science
Added: August 6, 2018

2013 journal article

Efficient Separation of Photogenerated Electron-Hole Pairs by the Combination of a Heterolayered Structure and Internal Polar Field in Pyroelectric BiOIO3 Nanoplates

CHEMISTRY-A EUROPEAN JOURNAL, 19(44), 14777–14780.

author keywords: BiOIO3; electron-hole separation; heterolayered structure; photocatalysts; polar field; semiconducters
TL;DR: Heterolayered bismuth-based layered semiconductors, BiOIO3, are studied to find that it is an efficient photocatalyst under ultraviolet (UV) light irradiation, far superior to that of TiO2 (P25). (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2013 journal article

Enhancing the Thermoelectric Properties of Layered Transition-Metal Dichalcogenides 2H-MQ(2) (M = Mo, W; Q = S, Se, Te) by Layer Mixing: Density Functional Investigation

CHEMISTRY OF MATERIALS, 25(18), 3745–3752.

By: C. Lee n, J. Hong*, M. Whangbo n & J. Shim*

author keywords: thermoelectric property; layered transition-metal dichalcogenide; layer mixing; density functional calculation
Source: Web Of Science
Added: August 6, 2018

2013 journal article

Hydrogen Sensing under Ambient Conditions Using SnO2 Nanowires: Synergetic Effect of Pd/Sn Codeposition

NANO LETTERS, 13(12), 5938–5943.

By: S. Jeong*, S. Kim*, J. Cha*, M. Son*, S. Park*, H. Kim*, M. Cho*, M. Whangbo n, K. Yoo*, S. Kim*

author keywords: Room-temperature hydrogen sensor; SnO2 nanowire; synergetic effect of Pd/Sn codeposition
MeSH headings : Hydrogen / chemistry; Hydrogen / isolation & purification; Metal Nanoparticles / chemistry; Nanowires / chemistry; Semiconductors; Tin Compounds / chemistry
TL;DR: It is indicated that in the presence of Pd the oxidation of Sn nanoparticles on the surface of the SnO2 nanowire is incomplete leading only to suboxides SnOx (1 ≤ x < 2), and thesurface of the Pd/Sn-deposited SnO1 nanowires is almost perfectly hydrophobic. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2013 journal article

Interface kinetic diffusion reaction leading to fast and continuous generation of AgCl nanocubes in NaCl solution

Dalton Transactions (Cambridge, England : 2003), 42(42), 15219–15225.

By: Z. Lou, B. Huang, Z. Wang, X. Qin, X. Zhang, Y. Liu, R. Zhang, Y. Dai, M. Whangbo

Source: NC State University Libraries
Added: August 6, 2018

2013 journal article

Magnetic Properties of the RbMnPO4 Zeolite-ABW-Type Material: A Frustrated Zigzag Spin Chain

INORGANIC CHEMISTRY, 52(16), 9627–9635.

MeSH headings : Magnetic Fields; Manganese / chemistry; Models, Molecular; Phosphates / chemistry; Rubidium / chemistry; Zeolites / chemistry
Source: Web Of Science
Added: August 6, 2018

2013 journal article

Nonlinear pressure dependence of T-N in almost multiferroic EuTiO3

Journal of Physics. Condensed Matter, 25(37).

By: Z. Guguchia, K. Caslin, R. Kremer, H. Keller, A. Shengelaya, A. Maisuradze, J. Bettis, J. Kohler, A. Bussmann-Holder, M. Whangbo

Source: NC State University Libraries
Added: August 6, 2018

2013 journal article

Novel Soft-Chemistry Route of Ag2Mo3O10 center dot 2H(2)O Nanowires and in Situ Photogeneration of a Ag@Ag2Mo3O10 center dot 2H(2)O Plasmonic Heterostructure

INORGANIC CHEMISTRY, 52(11), 6440–6449.

By: K. Hakouk*, P. Deniard*, L. Lajaunie*, C. Guillot-Deudon*, S. Harel*, Z. Wang*, B. Huang*, H. Koo* ...

MeSH headings : Molecular Structure; Molybdenum / chemistry; Nanowires / chemistry; Oxygen / chemistry; Particle Size; Silver / chemistry; Surface Properties; Water / chemistry
TL;DR: The Ag@Ag2Mo3O10·2H2O nanocomposite is an efficient visible-light-driven plasmonic photocatalyst for degradation of Rhodamine B dye in aqueous solution. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2013 journal article

On the nature of the photochemical reaction of polypyridyl Ru(II) complexes leading to sunlight-to-chemical energy conversion: density functional analysis

RSC Advances, 3(24), 9414–9418.

By: E. Kasapbasi & M. Whangbo

Source: NC State University Libraries
Added: August 6, 2018

2013 journal article

Quantum Critical Transition Amplifies Magnetoelastic Coupling in Mn[N(CN)(2)](2)

PHYSICAL REVIEW LETTERS, 110(23).

By: T. Brinzari*, P. Chen*, Q. Sun*, J. Liu n, L. Tung*, Y. Wang*, J. Schlueter*, J. Singleton* ...

TL;DR: The discovery of a magnetic quantum critical transition in Mn[N(CN)(2)](2) that drives the system from a canted antiferromagnetic state to the fully polarized state with amplified magnetoelastic coupling as an intrinsic part of the process is reported. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2013 journal article

Spin-Peierls distortions in TiPO4

PHYSICAL REVIEW B, 88(18).

By: M. Bykov*, J. Zhang*, A. Schoenleber, A. Woelfel, S. Ali*, S. Smaalen*, R. Glaum*, H. Koo* ...

Source: Web Of Science
Added: August 6, 2018

2013 journal article

Synthesis and Characterization of MnCrO4, a New Mixed-Valence Antiferromagnet

INORGANIC CHEMISTRY, 52(20), 11850–11858.

TL;DR: Both the magnetic susceptibility and the specific heat data indicate an onset of a three-dimensional antiferromagnetic order at TN ≈ 42 K, which was confirmed also by calculating the spin exchange interactions on the basis of first principles density functional calculations. (via Semantic Scholar)
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2013 journal article

Unified model of ferroelectricity induced by spin order

PHYSICAL REVIEW B, 88(5).

By: H. Xiang*, P. Wang*, M. Whangbo n & X. Gong*

Source: Web Of Science
Added: August 6, 2018

2012 journal article

Analysis of the magnetic structure of the manganese oxychalcogenides R2Mn2Se2O (R=LaO, BaF) by density functional calculations

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 324(22), 3859–3862.

By: H. Koo* & M. Whangbo n

author keywords: (LaO)(2)Mn2Se2O; (BaF)(2)Mn2Se2O; Spin exchange; Energy-mapping analysis; Spin frustration; DFT
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2012 journal article

Antiferromagnetic ordering through a hydrogen-bonded network in the molecular solid CuF2(H2O)(2)(3-chloropyridine)

CHEMICAL COMMUNICATIONS, 49(5), 499–501.

By: S. Lapidus*, J. Manson*, H. Park*, A. Clement*, S. Ghannadzadeh*, P. Goddard*, T. Lancaster*, J. Moeller ...

TL;DR: Strong intermolecular F···H-O hydrogen bonds enable the formation of 2D layers and provide the primary magnetic exchange path that leads to the stabilization of long-range antiferromagnetic (AFM) order below T(N) = 2.1 K. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2012 journal article

CuBr2-A New Multiferroic Material with High Critical Temperature

ADVANCED MATERIALS, 24(18), 2469–2473.

By: L. Zhao*, T. Hung*, C. Li*, Y. Chen*, M. Wu*, R. Kremer*, M. Banks*, A. Simon* ...

author keywords: multiferroic; ferroelectric; magnetoelectric effect; spin chain; magnetic structure
MeSH headings : Anions / chemistry; Bromides / chemistry; Copper / chemistry; Crystallography, X-Ray; Magnetics; Transition Temperature
TL;DR: The findings of CuBr(2) reveal the importance of anion effects, in the search for the high temperature multiferroics materials among these low-dimensional spin systems. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2012 journal article

Density Functional Investigation of the Water Oxidation by Iron Complexes Based on Tetradentate Nitrogen Ligands

INORGANIC CHEMISTRY, 51(20), 10850–10855.

By: E. Kasapbasi* & M. Whangbo n

MeSH headings : Catalysis; Iron / chemistry; Ligands; Nitrogen / chemistry; Organometallic Compounds / chemistry; Oxidation-Reduction; Quantum Theory; Water / chemistry
TL;DR: DFT and TD-DFT calculations confirm the experimental observation that 2(IV) is the resting species, and indicate that the catalytic cycle in which the Fe oxidation states of the intermediate species remain at +4 is energetically more favorable. (via Semantic Scholar)
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2012 journal article

Density functional analysis of the magnetic structures of Sr2MGe2O7 (M = Mn, Co)

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 324(22), 3716–3718.

By: H. Koo*, C. Lee* & M. Whangbo n

author keywords: Sr2MnGe2O7; Sr2CoGe2O7; Spin exchange; Magnetic structure; Spin orientation; DFT
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (Web of Science; OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2012 journal article

Giant Ferroelectric Polarization of CaMn7O12 Induced by a Combined Effect of Dzyaloshinskii-Moriya Interaction and Exchange Striction

PHYSICAL REVIEW LETTERS, 108(18).

By: X. Lu*, M. Whangbo n, S. Dong*, X. Gong* & H. Xiang*

TL;DR: This study suggests that CaMn7O12 may exhibit a novel magnetoelectric coupling mechanism in which the magnitude of the polarization is governed by the exchange striction, but the direction of the polarized direction is determined by the chirality of the helical magnetic order. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2012 journal article

Giant Magnetoresistance and Anomalous Magnetic Properties of Highly Epitaxial Ferromagnetic LaBaCo2O5.5+delta Thin Films on (001) MgO

ACS APPLIED MATERIALS & INTERFACES, 4(10), 5524–5528.

By: M. Liu*, C. Ma, J. Liu*, G. Collins*, C. Chen*, J. He*, J. Jiang*, E. Meletis* ...

author keywords: LaBaCo2O5.5+delta; interface; magnetoresistance; magnetic properties
TL;DR: The as-grown LBCO films have an excellent epitaxial behavior with atomically sharp interfaces, and exhibit a giant magnetoresistance and an anomalous magnetic hysteresis, depending strongly on the temperature and the applied magnetic field scan width. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2012 journal article

Helicoidal magnetic structure and ferroelectric polarization in Cu3Nb2O8

PHYSICAL REVIEW B, 86(17).

By: Z. Li*, M. Whangbo n, X. Gong* & H. Xiang*

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2012 journal article

Hydrogenated titania: synergy of surface modification and morphology improvement for enhanced photocatalytic activity

Chemical Communications, 48(46), 5733–5735.

By: Z. Zheng, B. Huang, J. Lu, Z. Wang, X. Qin, X. Zhang, Y. Dai, M. Whangbo

Source: NC State University Libraries
Added: August 6, 2018

2012 journal article

Importance of Halogen center dot center dot center dot Halogen Contacts for the Structural and Magnetic Properties of CuX2(pyrazine-N,N '-dioxide)(H2O)(2) (X = Cl and Br)

Inorganic Chemistry, 51(4), 2121–2129.

By: J. Schlueter, H. Park, G. Halder, W. Armand, C. Dunmars, K. Chapman, J. Manson, J. Singleton ...

Source: NC State University Libraries
Added: August 6, 2018

2012 journal article

Increasing the Phase-Transition Temperatures in Spin-Frustrated Multiferroic MnWO4 by Mo Doping

CHEMISTRY OF MATERIALS, 24(2), 353–360.

By: L. Meddar*, M. Josse*, M. Maglione*, A. Guiet*, C. La*, P. Deniard*, R. Decourt*, C. Lee n ...

author keywords: MnWO4; multiferroic; spin frustration; magnetic exchange; inductive effect
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2012 journal article

Influence of HF2- geometry on magnetic interactions elucidated from polymorphs of the metal-organic framework [Ni(HF2)(pyz)(2)]PF6 (pyz = pyrazine)

Dalton Transactions (Cambridge, England : 2003), 41(24), 7235–7243.

By: J. Manson, K. Carreiro, S. Lapidus, P. Stephens, P. Goddard, R. Del Sesto, J. Bendix, S. Ghannadzadeh ...

Source: NC State University Libraries
Added: August 6, 2018

2012 journal article

Investigation of the spin exchange interactions and the magnetic structure of the high-temperature multiferroic CuBr2

PHYSICAL REVIEW B, 86(6).

By: C. Lee n, J. Liu n, M. Whangbo n, H. Koo*, R. Kremer* & A. Simon*

Source: Web Of Science
Added: August 6, 2018

2012 journal article

Magnetic Order Through Super-Superexchanges in the Polar Magnetoelectric Organic-Inorganic Hybrid Cr[(D3N-(CH2)(2)-PO3)(Cl)(D2O)]

INORGANIC CHEMISTRY, 52(2), 753–760.

TL;DR: D density functional calculations confirm that the overall magnetic behavior is antiferromagnetic, the Cr(II)O(4)Cl planes are ferromagnetic and that the spin exchange interactions between Cr( II) ions are considerably weak compared with the single-ion anisotropy ofCr(II). (via Semantic Scholar)
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2012 journal article

Magnetic and Electrical Transport Properties of LaBaCo2O5.5+delta Thin Films on Vicinal (001) SrTiO3 Surfaces

ACS APPLIED MATERIALS & INTERFACES, 5(2), 451–455.

By: C. Ma, M. Liu*, G. Collins*, H. Wang*, S. Bao*, X. Xu*, E. Enriquez*, C. Chen*, Y. Lin*, M. Whangbo n

author keywords: epitaxial thin film; LaBaCo2O5.5+delta; magnetoresistance; surface and interface; vicinal surface; electronic transport
TL;DR: A very large magnetoresistance was achieved for the 0.5°-miscut film, which is ~30% larger than that for the film grown on the regular (001) SrTiO(3) substrates, which results most probably from the locally strained domains induced by the surface step terraces. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2012 journal article

Magnetic properties and energy-mapping analysis

DALTON TRANSACTIONS, 42(4), 823–853.

By: H. Xiang*, C. Lee n, H. Koo*, X. Gong* & M. Whangbo n

TL;DR: It is shown that the spin orientation of a transition-metal magnetic ion can be easily explained by considering its split d-block levels as unperturbed states with the spin-orbit coupling as perturbation, and that the DM exchange between adjacent spin sites can become comparable in strength to the Heisenberg spin exchange when the two spin sites are not chemically equivalent. (via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2012 journal article

Non-idle-spin behavior and field-induced magnetic transitions of the triple chain magnet Cu-3(OH)(4)SO4

Journal of the Physical Society of Japan, 81(6).

By: H. Koo, R. Kremer & M. Whangbo

Source: NC State University Libraries
Added: August 6, 2018

2012 journal article

Optical Properties of the Orchid Colored Silver(II) Fluoride Cs2AgF4

ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 638(11), 1792–1795.

By: J. Tong*, J. Koehler, A. Simon*, C. Lee n & M. Whangbo n

author keywords: Silver; Fluorine; AgII fluoride; Optical properties; Electronic structure
UN Sustainable Development Goal Categories
13. Climate Action (Web of Science)
Source: Web Of Science
Added: August 6, 2018

2012 journal article

Plasmonic photocatalysts: Harvesting visible light with noble metal nanoparticles

Physical Chemistry Chemical Physics, 14(28), 9813–9825.

By: P. Wang, B. Huang, Y. Dai & M. Whangbo

Source: NC State University Libraries
Added: August 6, 2018

2012 journal article

Spin Reorientation in the Square-Lattice Antiferromagnets RMnAsO (R = Ce, Nd): Density Functional Analysis of the Spin-Exchange Interactions between the Rare-Earth and Transition-Metal Ions

INORGANIC CHEMISTRY, 51(12), 6890–6897.

TL;DR: It is found that the symmetry and strength of the Dzyaloshinskii-Moriya (DM) interaction are determined primarily by the partially filled 4f states of the R(3+) ions and that the DM and biquadratic exchanges between the R (3+) and the Mn(2+) ions are unusually strong and control the observed spin reorientation phenomenon. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2012 journal article

Strong Dzyaloshinskii-Moriya Interaction and Origin of Ferroelectricity in Cu2OSeO3

PHYSICAL REVIEW LETTERS, 109(10).

By: J. Yang*, Z. Li*, X. Lu*, M. Whangbo n, S. Wei*, X. Gong*, H. Xiang*

TL;DR: It is proposed that the ferroelectric polarization of Cu2OSeO3 in the collinear ferrimagnetic state arises from an unusual mechanism, i.e., the single-spin-site contribution due to the spin-orbit coupling. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2012 journal article

Synthesis and characterization of the crystal structure and magnetic properties of the new fluorophosphate LiNaCo[PO4]F

Inorganic Chemistry, 51(16), 8729–8738.

By: H. Ben Yahia*, M. Shikano*, S. Koike*, K. Tatsumi*, H. Kobayashi*, H. Kawaji*, M. Avdeev*, W. Miiller* ...

TL;DR: The new compound LiNaCo[PO(4)]F was synthesized by a solid state reaction route, and its crystal structure was determined by single-crystal X-ray diffraction measurements, and the observed magnetic structures are well explained by the spin exchange constants determined from density functional calculations. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: NC State University Libraries
Added: August 6, 2018

2012 journal article

The surface termination effect on the quantum confinement and electron affinities of 3C-SiC quantum dots: a first-principles study

Nanoscale, 4(5), 1592–1597.

By: Z. Zhang, Y. Dai, L. Yu, M. Guo, B. Huang & M. Whangbo

Source: NC State University Libraries
Added: August 6, 2018

2012 journal article

Tip-Induced Modification of Polyoxometalate-Dodecane Thiol Self-Assembled Monolayers on Au(111) during Scanning Tunneling Microscopy Imaging

BULLETIN OF THE KOREAN CHEMICAL SOCIETY, 33(9), 3139–3141.

By: J. Kim, H. Kim, C. Rhee, J. Kim & M. Whangbo*

author keywords: Au(111); Polyoxometalate; Self-assembled monolayer; Dodecanethiol; Scanning tunneling microscopy
Source: Web Of Science
Added: August 6, 2018

2012 journal article

Tunable topological surface and realization of insulating massive Dirac fermion state in Bi2Te2Se with co-substitution

JOURNAL OF MATERIALS CHEMISTRY C, 1(1), 114–120.

Source: Web Of Science
Added: August 6, 2018

2012 journal article

[Ni(HF2)(3-Clpy)(4)]BF4 (py = pyridine): Evidence for spin exchange along strongly distorted F center dot center dot center dot H center dot center dot center dot F- bridges in a one-dimensional polymeric chain

Inorganic Chemistry, 51(14), 7520–7528.

By: J. Manson, A. Baldwin, B. Scott, J. Bendix, R. Del Sesto, P. Goddard, Y. Kohama, H. Tran ...

Source: NC State University Libraries
Added: August 6, 2018

2011 journal article

A magnetic transition probed by the Ce ion in square-lattice antiferromagnet CeMnAsO

Journal of the Physical Society of Japan, 80(9).

By: Y. Tsukamoto, Y. Okamoto, K. Matsuhira, M. Whangbo & Z. Hiroi

Source: NC State University Libraries
Added: August 6, 2018

2011 journal article

Ba4KFe3O9: A Novel Ferrite Containing Discrete 6-Membered Rings of Corner-Sharing FeO4 Tetrahedra

INORGANIC CHEMISTRY, 50(20), 10310–10318.

By: Q. Zhao*, S. Nellutla n, W. Son n, S. Vaughn, L. Ye, M. Smith, V. Caignaert*, M. Lufaso ...

Contributors: Q. Zhao*, S. Nellutla n, W. Son n, S. Vaughn, L. Ye, M. Smith, V. Caignaert*, M. Lufaso ...

MeSH headings : Boron Compounds / chemistry; Crystallography, X-Ray; Electron Spin Resonance Spectroscopy; Ferric Compounds / chemistry; Hot Temperature; Iron Compounds / chemistry; Magnetic Phenomena; Models, Molecular; Molecular Conformation; Oxides / chemistry; Quantum Theory; Spectroscopy, Mossbauer
TL;DR: X-band (9.5 GHz) electron paramagnetic resonance (EPR) spectra of a powder sample consist of a single line at g ~ 2.01 that is characteristic of Fe(3+) ions in a tetrahedral environment, thus confirming the Mössbauer results. (via Semantic Scholar)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018

2011 journal article

Density Functional Analysis of the Magnetic Structure of Li3RuO4: Importance of the Ru-O center dot center dot center dot O-Ru Spin-Exchange Interactions and Substitutional Ru Defects at the Li Sites

INORGANIC CHEMISTRY, 50(19), 9400–9405.

By: W. Son n, P. Manuel*, D. Adroja* & M. Whangbo n

TL;DR: This study examined how the substitutional defects, Ru atoms residing in the Li sites, affect the antiferromagnetic coupling along the c direction to explain why the expected c-axis doubling is not detected from powder neutron diffraction measurements. (via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2011 journal article

Density Functional Analysis of the Spin Exchange Interactions and Charge Order Patterns in the Layered Magnetic Oxides YBaM2O5 (M = Mn, Fe, Co)

INORGANIC CHEMISTRY, 50(21), 10643–10647.

By: Y. Zhang n & M. Whangbo n

TL;DR: The relative stabilities of the checkerboard and stripe charge order patterns of YBaM(2)O(5) (M = Mn, Fe, Co) are estimated by optimizing their structures with density functional calculations to probe if the nature of the charge order pattern depends on whether their transition-metal ions are Jahn-Teller active. (via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2011 journal article

Density Functional Investigation of the Difference in the Magnetic Structures of the Layered Triangular Antiferromagnets CuFeO2 and AgCrO2

CHEMISTRY OF MATERIALS, 23(18), 4181–4185.

By: Y. Zhang n, E. Kan* & M. Whangbo n

author keywords: layered triangular antiferromagnet; CuFeO2; ferroelectricity; spiral spin; spin exchange; density functional analysis
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2011 journal article

Density Functional Theory Analysis of the Interplay between Jahn-Teller Instability, Uniaxial Magnetism, Spin Arrangement, Metal-Metal Interaction, and Spin-Orbit Coupling in Ca3CoMO6 (M = Co, Rh, Ir)

INORGANIC CHEMISTRY, 50(5), 1758–1766.

By: Y. Zhang n, E. Kan n, H. Xiang*, A. Villesuzanne* & M. Whangbo n

TL;DR: This analysis reveals an intimate interplay between Jahn-Teller instability, uniaxial magnetism, spin arrangement, metal-metal interaction, and spin-orbit coupling in governing the magnetic and electronic properties of these oxides. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2011 journal article

Density functional analysis of the electronic structure of Cs9InO4: Evidence for the presence of a Cs- anion

ZEITSCHRIFT FUR KRISTALLOGRAPHIE-CRYSTALLINE MATERIALS, 226(7), 553–556.

By: C. Hoch*, A. Simon*, C. Lee n, M. Whangbo n & J. Koehler

author keywords: Cesium suboxide; Indate; Electronic structure calculations; Main group metal anion
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2011 journal article

Dimers of Ag2+ Ions - Synthesis and Characterization of the Quaternary Silver Fluoride Ag2ZnZr2F14 with [Ag2F7](3-) Units

ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 637(9), 1118–1121.

By: J. Tong*, F. Kraus*, J. Koehler, A. Simon*, J. Liu n & M. Whangbo n

author keywords: Silver zinc zirconium fluoride; Fluorine; X-ray diffraction; Silver dimers; Magnetic properties
UN Sustainable Development Goal Categories
13. Climate Action (Web of Science)
Source: Web Of Science
Added: August 6, 2018

2011 journal article

Facile in situ synthesis of visible-light plasmonic photocatalysts M@TiO2 (M = Au, Pt, Ag) and evaluation of their photocatalytic oxidation of benzene to phenol

Journal of Materials Chemistry, 21(25), 9079–9087.

By: Z. Zheng, B. Huang, X. Qin, X. Zhang, Y. Dai & M. Whangbo

Source: NC State University Libraries
Added: August 6, 2018

2011 journal article

Facile synthesis of Zn-rich (GaN)(1-x)(ZnO)(x) solid solutions using layered double hydroxides as precursors

Journal of Materials Chemistry, 21(12), 4562–4567.

By: J. Wang, B. Huang, Z. Wang, P. Wang, H. Cheng, Z. Zheng, X. Qin, X. Zhang, Y. Dai, M. Whangbo

Source: NC State University Libraries
Added: August 6, 2018

2011 journal article

General Theory for the Ferroelectric Polarization Induced by Spin-Spiral Order

PHYSICAL REVIEW LETTERS, 107(15).

By: H. Xiang*, E. Kan*, Y. Zhang n, M. Whangbo n & X. Gong*

TL;DR: The theory correctly describes the ferroelectricity of triangular-lattice antiferromagnets driven by helical spin-spiral order and incorporates known models of magnetic-order-driven ferro electricity as special cases. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2011 journal article

Half-Metallic Dirac Point in B-Edge Hydrogenated BN Nanoribbons

JOURNAL OF PHYSICAL CHEMISTRY C, 115(35), 17252–17254.

Source: Web Of Science
Added: August 6, 2018

2011 journal article

Intriguing Interconnections Among Phase Transition, Magnetic Moment, and Valence Disproportionation in 2H-Perovskite Related Oxides

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 133(51), 20981–20994.

By: Q. Zhao*, J. Darriet*, M. Whangbo n, L. Ye*, C. Stackhouse* & H. Loye*

Source: Web Of Science
Added: August 6, 2018

2011 review

Metal Anions in Metal-Rich Compounds and Polar Intermetallics

[Review of ]. European Journal of Inorganic Chemistry, (26), 3841–3847.

By: M. Whangbo, C. Lee & J. Kohler

Source: NC State University Libraries
Added: August 6, 2018

2011 journal article

Neutron scattering and mu SR investigations of quasi-one-dimensional magnetism in the spin=3/2 compound Li3RuO4

PHYSICAL REVIEW B, 84(17).

By: P. Manuel*, D. Adroja*, P. Lindgard, A. Hillier*, P. Battle*, W. Son n, M. Whangbo n

Source: Web Of Science
Added: August 6, 2018

2011 journal article

On the High Magnetic-Ordering Temperature of the 5d Magnetic Oxide Ca3LiOsO6 Crystallizing in a Trigonal Crystal Structure: Density Functional Analysis

INORGANIC CHEMISTRY, 50(9), 4182–4186.

By: E. Kan*, F. Wu*, C. Lee n, J. Kang n & M. Whangbo n

TL;DR: It is shown that, of the two nearest-neighbor interchain spin exchanges, one dominates over the other and that the intrachain spin exchange and the dominating interchainspin exchange are strong and form a three-dimensional antiferromagnetic spin lattice with no spin frustration, which is responsible for the long-range antiferromeagnetic ordering of Ca(3)LiOsO(6) at high temperature. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2011 journal article

On the Magnetic Insulating States, Spin Frustration, and Dominant Spin Exchange of the Ordered Double-Perovskites Sr2CuOsO6 and Sr2NiOsO6: Density Functional Analysis

INORGANIC CHEMISTRY, 50(9), 4142–4148.

By: C. Tian n, A. Wibowo*, H. Loye* & M. Whangbo n

TL;DR: The cause for the divergence between the zero-field- cooled and field-cooled susceptibility curves in both compounds and the reason for the difference in their dominant magnetic interactions were investigated by examining their spin exchange interactions. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2011 journal article

On the Nature of the Spin Frustration in the CuO2 Ribbon Chains of LiCuVO4: Crystal Structure Determination at 1.6 K, Magnetic Susceptibility Analysis, and Density Functional Evaluation of the Spin Exchange Constants

INORGANIC CHEMISTRY, 50(8), 3582–3588.

TL;DR: This work shows unambiguously that the Curie-Weiss temperature θ of LiCuVO(4) is negative in the range of -20 K, so that J(2) is substantially stronger in magnitude than J(1). (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2011 journal article

Predicting the spin-lattice order of frustrated systems from first principles

PHYSICAL REVIEW B, 84(22).

UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2011 journal article

Pressure-Induced Local Structure Distortions in Cu(pyz)F-2(H2O)(2)

INORGANIC CHEMISTRY, 50(13), 6347–6352.

TL;DR: This study reveals rich and fully reversible local lattice distortions that buckle the pyrazine ring, disrupt the bc-plane O-H···F hydrogen-bonding network, and reinforce magnetic property switching in the copper coordination polymer Cu(pyz)F(2)(H(2)O)(2). (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2011 journal article

Quasi-one-dimensional antiferromagnetism and multiferroicity in CuCrO4

PHYSICAL REVIEW B, 84(1).

By: J. Law*, P. Reuvekamp*, R. Glaum*, C. Lee n, J. Kang n, M. Whangbo n, R. Kremer*

Source: Web Of Science
Added: August 6, 2018

2011 journal article

Single-ion anisotropy, Dzyaloshinskii-Moriya interaction, and negative magnetoresistance the spin-1/2 pyrochlore R2V2O7

PHYSICAL REVIEW B, 83(17).

By: H. Xiang*, E. Kan n, M. Whangbo n, C. Lee n, S. Wei* & X. Gong*

Source: Web Of Science
Added: August 6, 2018

2011 journal article

Spin-Peierls transition in the S=1/2 compound TiPO4 featuring large intrachain coupling

PHYSICAL REVIEW B, 83(18).

Source: Web Of Science
Added: August 6, 2018

2011 journal article

Spin/Charge Redistributions and Oxygen Atom Displacements Induced by Spin Flip and Hole Doping in the CuO2 Layer of High-Temperature Superconductors

JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM, 25(1), 55–59.

By: C. Lee n, E. Kan n, M. Whangbo n, A. Bussmann-Holder* & A. Simon*

author keywords: High temperature superconductivity; Spin-charge; Lattice coupling
UN Sustainable Development Goal Categories
16. Peace, Justice and Strong Institutions (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2011 journal article

Structural, Electronic, and Magnetic Properties of Quasi-1D Quantum Magnets [Ni(HF2)(pyz)(2)]X (pyz = pyrazine; X = PF6-, SbF6-) Exhibiting Ni-FHF-Ni and Ni-pyz-Ni Spin Interactions

INORGANIC CHEMISTRY, 50(13), 5990–6009.

By: J. Manson*, S. Lapidus*, P. Stephens*, P. Peterson*, K. Carreiro*, H. Southerland*, T. Lancaster*, S. Blundell* ...

MeSH headings : Electrons; Hydrofluoric Acid / chemistry; Magnetics; Molecular Structure; Nickel / chemistry; Organometallic Compounds / chemical synthesis; Organometallic Compounds / chemistry; Pyrazines / chemistry; Quantum Theory
TL;DR: Further support offered by related Ni(II)-pyz compounds and the LFT and density-functional theory (DFT) results lead us to a consistent quasi-1D magnetic description for 1 and 2. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2011 journal article

Synthesis and Characterization of Di- and Trivalent Pyrazolylborate beta-Diketonates and Cyanometalates

INORGANIC CHEMISTRY, 50(11), 5153–5164.

By: M. Tang*, D. Li*, U. Mallik*, Y. Zhang*, R. Clerac*, G. Yee*, M. Whangbo n, A. Mungalimane, S. Holmes*

MeSH headings : Crystallography, X-Ray; Ketones / chemistry; Magnetics; Manganese / chemistry; Models, Molecular; Nitriles / chemistry; Organometallic Compounds / chemical synthesis; Organometallic Compounds / chemistry; Pyrazoles / chemistry
TL;DR: The syntheses, structures, and magnetic properties of a series of di- and trivalent hydridotris(3,5-dimethylpyrazol-1-yl)borate (Tp*) cyanomanganates are described. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2011 journal article

[Cu(HF2)(2)(pyrazine)](n): A Rectangular Antiferromagnetic Lattice with a Spin Exchange Path Made Up of Two Different FHF- Bridges

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 50(7), 1573–1576.

By: J. Manson*, M. Warter*, J. Schlueter*, T. Lancaster*, A. Steele*, S. Blundell*, F. Pratt*, J. Singleton* ...

author keywords: bifluoride ligands; bridging ligands; coordination polymers; copper; magnetic properties
TL;DR: The two-dimensional antiferromagnet [Cu(HF{sub 2}){ sub 2}(pyz)]{sub n} (pyz=pyrazine) has a rectangular lattice displaying two types of FHF{sup -} bridging modes. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2010 journal article

Amino acid-assisted synthesis of ZnO twin-prisms and functional group's influence on their morphologies

JOURNAL OF ALLOYS AND COMPOUNDS, 507(1), 326–330.

By: H. Liu*, B. Huang*, Z. Wang*, X. Qin*, X. Zhang*, J. Wei*, Y. Dai*, P. Wang*, M. Whangbo n

author keywords: ZnO twins; Amino acid; Solvothermal; Surface interaction; Optimized crystallinity
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2010 journal article

Analysis of the Magnetic Structure and Ferroelectric Polarization of Monoclinic MnSb2S4 by Density Functional Theory Calculations

INORGANIC CHEMISTRY, 49(23), 10956–10959.

By: C. Tian n, C. Lee n, E. Kan n, F. Wu n & M. Whangbo n

TL;DR: This work explored the origin of the observed noncollinear spin arrangement of MnSb(2)S(4) by evaluating its spin exchanges to find that spin exchanges are frustrated not only within each MnS( 4) chain but also between adjacent MnS (4) chains, and predicts that it is a multiferroic with a ferroelectric polarization along the chain direction. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2010 journal article

Anion-Vacancy-Induced Magneto-Crystalline Anisotropy in Fluorine-Doped Hexagonal Cobaltites

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 132(13), 4865–4875.

TL;DR: The two cobalt hexagonal perovskites were prepared, and their structures were examined by X-ray and neutron diffraction and by (19)F solid state NMR spectroscopy, leading to an unambiguous charge distribution model that should be valid for the parent BaCoO(3-delta) and the related oxychlorides and oxybromides as well. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2010 journal article

Enhanced Critical Temperature in a Dual-Layered Molecular Superconductor

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 132(46), 16308–16310.

TL;DR: Single-crystal X-ray diffraction has shown that the high-critical-temperature (T(c))) phase of the filamentary molecular superconductor (BEDT-TTF)(2)Ag(CF(3))(4))(1,1,2-trichloroethane) contains layers of BEDT -TTF radical cations with alternating κ- and α'-type packing motifs. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2010 journal article

Ferrimagnetism in zigzag graphene nanoribbons induced by main-group adatoms

Applied Physics Letters, 96(10).

By: E. Kan, H. Xiang, F. Wu, C. Lee, J. Yang & M. Whangbo

Source: NC State University Libraries
Added: August 6, 2018

2010 journal article

Ferroelectricity in Perovskites with s(0) A-Site Cations: Toward Near-Room-Temperature Multiferroics

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 49(9), 1603–1606.

author keywords: density functional calculations; ferroelectric distortion; indium; Jahn-Teller distortion; perovskite phases
TL;DR: Materials is based on perovskites, ABO3, with two different cations A and B, in which corner-sharing BO6 octahedra form the three-dimen- sional lattice with every B8 cube containing one A cation. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2010 journal article

Ferromagnetically Coupled Shastry-Sutherland Quantum Spin Singlets in (CuCl)LaNb2O7

PHYSICAL REVIEW LETTERS, 105(16).

By: C. Tassel*, J. Kang n, C. Lee n, O. Hernandez*, Y. Qiu*, W. Paulus*, E. Collet*, B. Lake* ...

TL;DR: (CuCl)LaNb₂O₇ is reported as the first system of ferromagnetically coupled Shastry-Sutherland quantum spin singlets, and state-of-the-art calculations reveal that it is orthorhombic with Pbam symmetry. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2010 journal article

Finite Magnetization Plateau from a Two-Dimensional Antiferromagnet: Density Functional Analysis of the Magnetic Structure of Cu-3(P2O6OH)(2)

INORGANIC CHEMISTRY, 49(20), 9253–9256.

By: H. Koo* & M. Whangbo n

TL;DR: Despite its 2D character, Cu(3)(P(2)O(6)OH)(2) shows a 1/3 magnetization plateau because it is a spin-1/2 trimer system with one dominant antiferromagnetic dimer exchange. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2010 journal article

First Structurally Characterized Tricyanomanganate(III) and its Magnetic {(Mn2M2II)-M-III} Complexes (M-II = Mn, Ni)

INORGANIC CHEMISTRY, 49(11), 4753–4755.

By: M. Tang*, D. Li*, U. Mallik*, J. Withers*, S. Brauer*, M. Rhodes*, R. Clerac*, G. Yee*, M. Whangbo n, S. Holmes*

TL;DR: Magnetic measurements show that 1-3 exhibit S(T) = 1, 3, and 4 spin ground states, respectively. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2010 journal article

Half-Metallic Ferromagnetism and Large Negative Magnetoresistance in the New Lacunar Spinel GaTi3VS8

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 132(16), 5704–5710.

By: E. Dorolti n, L. Cario n, B. Corraze n, E. Janod n, C. Vaju n, H. Koo n, E. Kan n, M. Whangbo n

TL;DR: The authors' calculations predict that GaTi(3)VS(8) is a ferromagnetic half-metal, and this prediction was confirmed by magnetotransport experiments performed on polycrystalline samples of GaTi (3) VS(8), which reveal a large negative magnetoresistance. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2010 journal article

Magnetic excitations in infinite-layer antiferromagnetic insulator

Journal of the Physical Society of Japan, 79(3).

By: K. Tomiyasu, H. Kageyama, C. Lee, M. Whangbo, Y. Tsujimoto, K. Yoshimura, J. Taylor, A. Llobet ...

Source: NC State University Libraries
Added: August 6, 2018

2010 journal article

Magneto-optical properties and charge-spin coupling in the molecular (2,3-dmpyH)(2)CuBr4 spin-ladder material

PHYSICAL REVIEW B, 81(5).

By: J. White*, C. Lee n, O. Gunaydin-Sen*, L. Tung*, H. Christen*, Y. Wang*, M. Turnbull*, C. Landee* ...

Source: Web Of Science
Added: August 6, 2018

2010 journal article

On the Importance of the Interplaquette Spin Exchanges in Na3RuO4: Density Functional Theory Analysis of the Spin Exchange and Magnetic Properties

INORGANIC CHEMISTRY, 49(6), 3025–3028.

By: F. Wu n, E. Kan n & M. Whangbo n

TL;DR: The spin-lattice of Na(3)RuO(4) is evaluated by performing mapping analysis based on first-principles density functional theory calculations and examining how the trends in the calculated J(1)-J(5) are related to the distortions of the RuO(6) octahedra in the four-membered plaquettes. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2010 journal article

Orbital order and partial electronic delocalization in a triangular magnetic metal Ag2MnO2

PHYSICAL REVIEW B, 81(9).

By: S. Ji*, E. Kan n, M. Whangbo n, J. Kim*, Y. Qiu*, M. Matsuda*, H. Yoshida*, Z. Hiroi* ...

Source: Web Of Science
Added: August 6, 2018

2010 journal article

Prediction for room-temperature half-metallic ferromagnetism in the half-fluorinated single layers of BN and ZnO

Applied Physics Letters, 97(12).

By: E. Kan, H. Xiang, F. Wu, C. Tian, C. Lee, J. Yang, M. Whangbo

Source: NC State University Libraries
Added: August 6, 2018

2010 journal article

Quantum confinement effect on the vacancy-induced spin polarization in carbon, silicon, and germanium nanoparticles: Density functional analysis

Applied Physics Letters, 96(6).

By: Z. Zhang, Y. Dai, B. Huang & M. Whangbo

Source: NC State University Libraries
Added: August 6, 2018

2010 journal article

Short-range magnetic order and temperature-dependent properties of cupric oxide

Journal of Physics. Condensed Matter, 22(4).

By: X. Rocquefelte, M. Whangbo, A. Villesuzanne, S. Jobic, F. Tran, K. Schwarz, P. Blaha

Source: NC State University Libraries
Added: August 6, 2018

2010 journal article

Spin-lattice interactions through the quantum critical transition in Cu(pyz)(NO3)(2)

PHYSICAL REVIEW B, 81(10).

Source: Web Of Science
Added: August 6, 2018

2010 journal article

Synthesis and Characterization of the Crystal Structure and Magnetic Properties of the Ternary Manganese Vanadate NaMnVO4

INORGANIC CHEMISTRY, 49(18), 8578–8582.

By: H. Ben Yahia*, E. Gaudin*, K. Boulahya*, J. Darriet*, W. Son n & M. Whangbo n

TL;DR: A new ternary manganese vanadate, NaMnVO(4), was synthesized by solid state reaction route, and its crystal structure and magnetic properties were characterized by X-ray diffraction, magnetic susceptibility and specific heat measurements, and by density functional calculations. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2010 journal article

Synthesis and optical properties of amorphous C-Si-O particles

JOURNAL OF LUMINESCENCE, 131(2), 218–224.

By: L. Zheng*, B. Huang*, J. Wei*, Y. Dai* & M. Whangbo n

author keywords: Amorphous C-Si-O particles; Photoluminescence; Red-green-blue emission
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2010 journal article

Synthesis of Anatase TiO2 Tubular Structures Microcrystallites with a High Percentage of {001} Facets by a Simple One-Step Hydrothermal Template Process

CHEMISTRY-A EUROPEAN JOURNAL, 16(24), 7106–7109.

By: X. Wang*, B. Huang*, Z. Wang*, X. Qin*, X. Zhang*, Y. Dai*, M. Whangbo n

author keywords: anatase; hydrothermal synthesis; titanium; tubular structures; zirconium
TL;DR: This work reports a simple one-step hydrothermal method for preparing anatase TiO2 tubular structures made up of microscrystallites with a high percentage of {001} facets by using ZrO2 fibers as a template, which may have promising applications in photocatalysis and photoelectronics. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2010 conference paper

The layered ferromagnet Cs2AgF4: Antiferromagnetic inter-layer coupling driven by magnetic dipole-dipole interactions

Zeitschrift fur Kristallographie, 225(11), 498–503.

By: J. Tong, R. Kremer, J. Kohler, A. Simon, C. Lee, E. Kan, M. Whangbo

Source: NC State University Libraries
Added: August 6, 2018

2010 journal article

Theoretical Analysis of the Spin Exchange and Magnetic Dipole-Dipole Interactions Leading to the Magnetic Structure of Ni3TeO6

INORGANIC CHEMISTRY, 49(16), 7545–7548.

By: F. Wu n, E. Kan n, C. Tian n & M. Whangbo n

TL;DR: The origin of the collinear antiferromagnetic magnetic structure of Ni(3)TeO(6) below 52 K was analyzed by calculating its spin exchanges on the basis of density functional calculations, and the cause for the parallelc-spin orientation found by calculating the spin-orbit coupling and magnetic dipole-dipole interaction energies. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2010 journal article

Theoretical Investigation of the Magnetic Structure and Ferroelectric Polarization of the Multiferroic Langasite Ba3NbFe3Si2O14

CHEMISTRY OF MATERIALS, 22(18), 5290–5295.

By: C. Lee n, E. Kan n, H. Xiang* & M. Whangbo n

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2010 journal article

Thermodynamically stable single-side hydrogenated graphene

PHYSICAL REVIEW B, 82(16).

By: H. Xiang*, E. Kan n, S. Wei*, X. Gong* & M. Whangbo n

UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2010 journal article

pi-Back-Donation Effect of the Cyanide Ligands on the Electron Correlation and Charge Transfer in Prussian Blue RbMn[Fe(CN)(6)]

INORGANIC CHEMISTRY, 49(7), 3086–3088.

By: C. Tian n, E. Kan*, C. Lee* & M. Whangbo*

TL;DR: The temperature-induced charge transfer between the Mn and Fe sites in RbMn[Fe(CN)(6)] was analyzed by density functional theory calculations and indicates that the extent of electron correlation is much greater for the Mn(n+) ion than for the Fe( n+) ion. (via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (Web of Science; OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2009 journal article

"Narrow" Graphene Nanoribbons Made Easier by Partial Hydrogenation

NANO LETTERS, 9(12), 4025–4030.

By: H. Xiang n, E. Kan n, S. Wei n, M. Whangbo n & J. Yang n

MeSH headings : Crystallization / methods; Graphite / chemistry; Hydrogen / chemistry; Macromolecular Substances / chemistry; Materials Testing; Molecular Conformation; Nanostructures / chemistry; Nanostructures / ultrastructure; Nanotechnology / methods; Particle Size; Surface Properties
TL;DR: This study shows that narrow GNRs can be readily obtained from wide GNRs by partial hydrogenation, and the partially hydrogenated wide GNR have similar electronic and magnetic properties as those of the narrow GNR representing their graphene parts. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2009 article

A striking transition

Whangbo, M.-H., & Koehler, J. (2009, August). NATURE CHEMISTRY, Vol. 1, pp. 351–352.

By: M. Whangbo n & J. Koehler

TL;DR: The field of spin Transition has been dominated by six-coordinate octahedral metal ions, but now an unusual spin transition has been found for an oxide containing a square-planar coordinate iron(II). (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2009 journal article

Ag/AgBr/WO3 center dot H2O: Visible-Light Photocatalyst for Bacteria Destruction

INORGANIC CHEMISTRY, 48(22), 10697–10702.

By: P. Wang*, B. Huang*, X. Qin*, X. Zhang*, Y. Dai* & M. Whangbo n

MeSH headings : Azo Compounds / chemistry; Bromides / chemistry; Catalysis; Crystallography, X-Ray; Escherichia coli / drug effects; Escherichia coli / metabolism; Light; Microscopy, Electron; Oxides / chemistry; Oxides / metabolism; Oxides / pharmacology; Photochemical Processes; Photoelectron Spectroscopy; Silver / chemistry; Silver Compounds / chemistry; Spectrophotometry, Ultraviolet; Tungsten / chemistry; Tungsten / metabolism; Tungsten / pharmacology; Water / chemistry
TL;DR: H(2)O is a highly efficient photocatalyst under visible light and samples recovered from repeated photooxidation experiments are almost identical to the as-prepared samples, proving the stability of Ag/AgBr/WO(3). (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2009 journal article

Analysis of Electronic Structures and Chemical Bonding of Metal-rich Compounds. 2. Presence of Dimer (T-T)(4-) and Isolated T2- Anions in the Polar Intermetallic Cr5B3-Type Compounds AE(5)T(3) (AE = Ca, Sr; T = Au, Ag, Hg, Cd, Zn)

ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 636(1), 36–40.

By: C. Lee n, M. Whangbo n & J. Koehler

author keywords: Intermetallic phases; Zintl anions; Electronic structure calculations; Transition metal anions; Alkaline earth metals
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2009 journal article

Characterization of the Antiferromagnetism in Ag(pyz)(2)(S2O8) (pyz = Pyrazine) with a Two-Dimensional Square Lattice of Ag2+ Ions

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 131(13), 4590-+.

By: J. Manson*, K. Stone*, H. Southerland*, T. Lancaster*, A. Steele*, S. Blundell*, F. Pratt*, P. Baker* ...

TL;DR: X-ray powder diffraction and magnetic susceptibility measurements show that Ag(pyz)(2)(S(2)O(8)) consists of 2D square nets of Ag(2+) ions resulting from the corner-sharing of axially elongated AgN(4)O (2) octahedra and exhibits characteristic 2D antiferromagnetism. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2009 journal article

Color Properties and Structural Phase Transition in Penta- And Hexacoordinate Isothiocyanato Ni(II) Compounds

INORGANIC CHEMISTRY, 48(16), 7650–7658.

By: T. Brinzari*, C. Tian n, G. Halder*, J. Musfeldt*, M. Whangbo n & J. Schlueter*

TL;DR: Variable temperature vibrational studies show mode softening with decreasing temperature and splitting near 200 K, trends that are attributed to improved low temperature intermolecular interactions and a weak structural phase transition, respectively. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2009 journal article

Consequences of the intrachain dimer-monomer spin frustration and the interchain dimer-monomer spin exchange in the diamond-chain compound azurite Cu-3(CO3)(2)(OH)(2)

Journal of Physics. Condensed Matter, 21(39).

By: J. Kang, C. Lee, R. Kremer & M. Whangbo

Source: NC State University Libraries
Added: August 6, 2018

2009 journal article

Cooperative Jahn-Teller distortion leading to the spin-1/2 uniform antiferromagnetic chains in triclinic perovskites AgCuF3 and NaCuF3

SOLID STATE SCIENCES, 12(5), 680–684.

By: J. Tong, C. Lee, M. Whangbo*, R. Kremer, A. Simon & J. Koehler

author keywords: Fluoride; Perovskite; Magnetism; Heisenberg chain; Cooperative Jahn-Teller distortion
UN Sustainable Development Goal Categories
13. Climate Action (Web of Science)
Source: Web Of Science
Added: August 6, 2018

2009 journal article

Density Functional Characterization of the Visible-Light Absorption in Substitutional C-Anion- and C-Cation-Doped TiO2

JOURNAL OF PHYSICAL CHEMISTRY C, 113(6), 2624–2629.

By: K. Yang n, Y. Dai n, B. Huang n & M. Whangbo n

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2009 journal article

Density Functional Investigation of the Antiferromagnetic Ordering, Spin Orientation, and Ferroelectric Polarization of Rare-Earth Iron Borate TbFe3(BO3)(4)

CHEMISTRY OF MATERIALS, 21(12), 2534–2539.

By: C. Lee n, J. Kang n, K. Lee n & M. Whangbo n

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2009 journal article

Density functional investigation of the magnetic properties of PbMBO4 (M = Cr, Mn, Fe)

SOLID STATE COMMUNICATIONS, 149(15-16), 602–604.

By: H. Koo* & M. Whangbo n

author keywords: Magnetically ordered materials; Exchange and superexchange
Source: Web Of Science
Added: August 6, 2018

2009 journal article

Density functional studies of the magnetic properties in nitrogen doped TiO2

CHEMICAL PHYSICS LETTERS, 481(1-3), 99–102.

By: K. Yang*, Y. Dai*, B. Huang* & M. Whangbo n

UN Sustainable Development Goal Categories
6. Clean Water and Sanitation (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2009 journal article

Density-functional analysis of spin exchange and ferroelectric polarization in AgCrO2

PHYSICAL REVIEW B, 80(10).

By: E. Kan n, H. Xiang*, Y. Zhang n, C. Lee n & M. Whangbo n

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2009 journal article

Description of Anhydrous (Black) Dioptase as a S=1/2 Uniform Antiferromagnetic Chain System

ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 636(1), 54–61.

By: J. Law*, C. Hoch*, M. Whangbo n & R. Kremer*

author keywords: Dioptase; Copper; Magnetic properties; Heisenberg chain; Electronic structure; Spin dimer analysis
Source: Web Of Science
Added: August 6, 2018

2009 journal article

Effect of Magnetic Dipole-Dipole Interactions on the Spin Orientation and Magnetic Ordering of the Spin-Ladder Compound Sr3Fe2O5

INORGANIC CHEMISTRY, 48(19), 9051–9053.

By: H. Koo*, H. Xiang*, C. Lee n & M. Whangbo n

TL;DR: First-principles density functional theory calculations show that the spin-lattice of Sr(3)Fe(2)O(5) is practically 2D in terms of its spin-exchange interactions. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2009 journal article

Effect of Nonmagnetic Substituents Mg and Zn on the Phase Competition in the Multiferroic Antiferromagnet MnWO4

CHEMISTRY OF MATERIALS, 21(21), 5203–5214.

By: L. Meddar*, M. Josse*, P. Deniard*, C. La*, G. Andre*, F. Damay*, V. Petricek*, S. Jobic* ...

Source: Web Of Science
Added: August 6, 2018

2009 journal article

Ferromagnetism of undoped GaN mediated by through-bond spin polarization between nitrogen dangling bonds

Applied Physics Letters, 94(16).

By: H. Jin, Y. Dai, B. Huang & M. Whangbo

Source: NC State University Libraries
Added: August 6, 2018

2009 journal article

Highly Efficient Photocatalyst: TiO2 Microspheres Produced from TiO2 Nanosheets with a High Percentage of Reactive {001} Facets

CHEMISTRY-A EUROPEAN JOURNAL, 15(46), 12576–12579.

By: Z. Zheng*, B. Huang*, X. Qin*, X. Zhang*, Y. Dai*, M. Jiang*, P. Wang*, M. Whangbo n

author keywords: nanostructures; photocatalysts; reactive facets; surface chemistry; titanium
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2009 journal article

Highly Efficient Visible-Light Plasmonic Photocatalyst Ag@AgBr

CHEMISTRY-A EUROPEAN JOURNAL, 15(8), 1821–1824.

By: P. Wang*, B. Huang*, X. Zhang*, X. Qin*, H. Jin*, Y. Dai*, Z. Wang*, J. Wei* ...

author keywords: heterogeneous catalysis; nanostructures; plasmon photocatalysts; silver
TL;DR: The newly-prepared plasmonic photocatalyst Ag section signAgBr has a strong absorption in the visible region and shows high efficiency in the photodegradation of organic pollutants under visible light. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2009 journal article

Incommensurate spin correlation driven by frustration in BiCu2PO6

PHYSICAL REVIEW B, 80(18).

By: O. Mentre*, E. Janod*, P. Rabu*, M. Hennion*, F. Leclercq-Hugeux*, J. Kang n, C. Lee n, M. Whangbo n, S. Petit*

author keywords: antiferromagnetic materials; bismuth compounds; copper compounds; density functional theory; exchange interactions (electron); excited states; frustration; ground states; magnetic susceptibility; neutron diffraction crystallography; spin dynamics
Source: Web Of Science
Added: August 6, 2018

2009 journal article

Interplay between Jahn-Teller instability, uniaxial magnetism, and ferroelectricity in Ca3CoMnO6

PHYSICAL REVIEW B, 79(5).

By: Y. Zhang n, H. Xiang* & M. Whangbo n

Source: Web Of Science
Added: August 6, 2018

2009 journal article

Magnetic Interactions of the 15-Electron Nb6F12 Clusters in Nb6F15

ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 635(15), 2396–2398.

By: J. Koehler, A. Simon* & M. Whangbo n

author keywords: Cluster compounds; Magnetic properties; Niobium; Fluorides; NMR spectroscopy
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2009 journal article

Magnetic ordering in the frustrated Heisenberg chain system cupric chloride CuCl2

PHYSICAL REVIEW B, 80(2).

By: M. Banks*, R. Kremer*, C. Hoch*, A. Simon*, B. Ouladdiaf*, J. Broto*, H. Rakoto*, C. Lee n, M. Whangbo n

author keywords: antiferromagnetic materials; copper compounds; crystal structure; density functional theory; exchange interactions (electron); ferromagnetic materials; frustration; Heisenberg model; long-range order; magnetic structure; magnetic susceptibility; multiferroics; Neel temperature; neutron diffraction; solid-state phase transformations; specific heat
Source: Web Of Science
Added: August 6, 2018

2009 journal article

Magnetic states of zigzag graphene nanoribbons from first principles

Applied Physics Letters, 94(22).

By: F. Wu, E. Kan, H. Xiang, S. Wei, M. Whangbo & J. Yang

Source: NC State University Libraries
Added: August 6, 2018

2009 journal article

Magnetic structure and ferroelectric polarization of MnWO4 investigated by density functional calculations and classical spin analysis

PHYSICAL REVIEW B, 80(10).

Source: Web Of Science
Added: August 6, 2018

2009 journal article

Magnetism of semiconductor-based magnetic tunnel junctions under electric field from first principles

Applied Physics Letters, 94(25).

By: E. Kan, H. Xiang, J. Yang & M. Whangbo

Source: NC State University Libraries
Added: August 6, 2018

2009 journal article

Magnetoelastic Coupling through the Antiferromagnet-to-Ferromagnet Transition of Quasi-Two-Dimensional [Cu(HF2)(pyz)(2)]BF4 Using Infrared Spectroscopy

PHYSICAL REVIEW LETTERS, 103(15).

By: J. Musfeldt*, L. Vergara*, T. Brinzari*, C. Lee n, L. Tung*, J. Kang n, Y. Wang*, J. Schlueter*, J. Manson*, M. Whangbo n

Source: Web Of Science
Added: August 6, 2018

2009 journal article

Origin of the Ising ferrimagnetism and spin-charge coupling in LuFe2O4

PHYSICAL REVIEW B, 80(13).

By: H. Xiang*, E. Kan n, S. Wei*, M. Whangbo n & J. Yang*

Source: Web Of Science
Added: August 6, 2018

2009 journal article

Selective ethanol formation from photocatalytic reduction of carbon dioxide in water with BiVO4 photocatalyst

CATALYSIS COMMUNICATIONS, 11(3), 210–213.

By: Y. Liu*, B. Huang*, Y. Dai*, X. Zhang*, X. Qin*, M. Jiang*, M. Whangbo n

author keywords: CO2 reduction; Photocatalyst; Photoreduction; BiVO4
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation (Web of Science; OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2009 journal article

Site preference of Eu2+ dopants in the (Ba,Sr)(13-x)Al22-2xSi10+2xO66 phosphor and its effect on the luminescence properties: a density functional investigation

JOURNAL OF MATERIALS CHEMISTRY, 19(48), 9170–9175.

By: G. Denis*, X. Rocquefelte*, P. Deniard*, M. Whangbo n & S. Jobic*

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2009 journal article

Spin dimer and mapping analyses of the magnetic properties of VO(CH3CO2)(2) and VO(OCH2CH2O)

SOLID STATE SCIENCES, 12(5), 685–690.

By: H. Koo* & M. Whangbo n

author keywords: Spin exchange interaction; Spin dimer analysis; DFT calculations; Vanadyl acetate; Vanadyl glycolate
Source: Web Of Science
Added: August 6, 2018

2009 journal article

Spin fluctuations and orbital ordering in quasi-one-dimensional alpha-Cu(dca)(2)(pyz) {dca = dicyanamide = N(CN)(2)(-); pyz = pyrazine}, a molecular analogue of KCuF3

POLYHEDRON, 29(1), 514–520.

author keywords: Low-dimensional; Copper; Dicyanamide; Pyrazine; Molecular magnet
Source: Web Of Science
Added: August 6, 2018

2009 journal article

Strong H center dot center dot center dot F Hydrogen Bonds as Synthons in Polymeric Quantum Magnets: Structural, Magnetic, and Theoretical Characterization of [Cu(HF2)(pyrazine)(2)]SbF6, [Cu2F(HF)(HF2)(pyrazine)(4)](SbF6)(2), and [CuAg(H3F4)(pyrazine)(5)](SbF6)(2)

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 131(19), 6733–6747.

By: J. Manson*, J. Schlueter*, K. Funk*, H. Southerland*, B. Twamley*, T. Lancaster*, S. Blundell*, P. Baker* ...

TL;DR: The M(B) data for 1b could not be satisfactorily explained by the chain model, suggesting a more complex magnetic structure in the ordered state and the need for additional terms in the spin Hamiltonian. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2009 journal article

Symmetry-Dependent Strong Reduction of the Spin Exchange Interactions in Cs2CuCl4 by the 6p Orbitals of Cs+ Ions

INORGANIC CHEMISTRY, 48(9), 4165–4170.

By: C. Lee n, J. Kang n, K. Lee n & M. Whangbo n

TL;DR: The observed magnetism of Cs(2)CuCl(4) arises from this symmetry-dependent participation of the 6p orbitals of the Cs (+) ions in the spin exchange interactions between CuCl (4)(2-) ions. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2009 journal article

Synthesis and Magnetic Properties of Ba2Mn2Si2O9: the First Example of S=2 Spin-Dimer with Spin-Singlet Ground

CHEMISTRY-AN ASIAN JOURNAL, 4(10), 1530–1535.

author keywords: crystal growth; magnetic properties; manganese; silicates; theoretical calculations
Source: Web Of Science
Added: August 6, 2018

2008 journal article

Ag@AgCl: A highly efficient and stable photocatalyst active under visible light

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 47(41), 7931–7933.

By: P. Wang*, B. Huang*, X. Qin*, X. Zhang*, Y. Dai*, J. Wei*, M. Whangbo n

author keywords: heterogeneous catalysis; nanostructures; photocatalysts; photochemistry; silver
TL;DR: It is shown that such a photocatalyst can be obtained from silver chloride by exploiting its photosensitivity, and the resulting plasmonic photoc atalyst is highly efficient and stable under visible-light illumination. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2008 journal article

Analysis of electronic structures and chemical bonding of metal-rich compounds. I. Density functional study of Pt metal, LiPt2, LiPt, and Li2Pt

JOURNAL OF COMPUTATIONAL CHEMISTRY, 29(13), 2154–2160.

By: C. Lee n, M. Whangbo n & J. Koehler

author keywords: Pt-Li binary compounds; metal-rich compounds; electron counting; chemical bonding; electronic structure
TL;DR: The Pt atoms of the Li/Pt binary compounds are predicted to exist as partially negative anions because the 5d‐electron configuration of Pt in these compounds is close to (5d)10, and the electrons released from the Li atoms are delocalized among the Pt0 atoms and Li+ ions. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2008 journal article

Characterization of the magnetic and structural properties of copper carbodiimide, CuNCN, by neutron diffraction and first-principles evaluations of its spin exchange interactions

JOURNAL OF PHYSICAL CHEMISTRY C, 112(29), 11013–11017.

By: X. Liu, R. Dronskowski, R. Kremer, M. Ahrens, C. Lee* & M. Whangbo*

Source: Web Of Science
Added: August 6, 2018

2008 journal article

Charge Order in LuFe2O4: Antiferroelectric Ground State and Coupling to Magnetism

PHYSICAL REVIEW LETTERS, 101(22).

TL;DR: X-ray scattering by multiferroic LuFe2O4 is reported, and the temperature dependence of the incommensuration indicates that charge order and magnetism are coupled. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2008 journal article

Composite semiconductor H2WO4 center dot H2O/AgCl as an efficient and stable photocatalyst under visible light

Chemistry (Weinheim An Der Bergstrasse, Germany), 14(34), 10543–10546.

By: P. Wang, B. Huang, X. Zhang, X. Qin, Y. Dai, H. Jin, J. Wei, M. Whangbo

Source: NC State University Libraries
Added: August 6, 2018

2008 journal article

Consequences of a Linear Two-Coordinate Geometry for the Orbital Magnetism and Jahn-Teller Distortion Behavior of the High Spin Iron(II) Complex Fe[N(t-Bu)(2)](2)

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 131(2), 404-+.

By: W. Reiff n, C. Schulz n, M. Whangbo n, J. Seo n, Y. Lee n, G. Potratz n, C. Spicer n, G. Girolami n

TL;DR: Studies of the unusual two-coordinate iron(II) amide Fe[N(t-Bu)(2)](2) show that it retains a linear N-Fe-N framework due to the nonbonding delta nature of the (xy, x(2)-y(2)) orbitals. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2008 journal article

Density Functional Characterization of the Band Edges, the Band Gap States, and the Preferred Doping Sites of Halogen-Doped TiO2

CHEMISTRY OF MATERIALS, 20(20), 6528–6534.

By: K. Yang n, Y. Dai n, B. Huang n & M. Whangbo n

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2008 journal article

Determination of the spin-lattice relevant for the quaternary magnetic oxide Bi4Cu3V2O14 on the basis of tight-binding and density functional calculations

INORGANIC CHEMISTRY, 47(11), 4779–4784.

By: H. Koo n & M. Whangbo n

TL;DR: The quaternary magnetic oxide Bi4Cu3V2O14 consists of Cu4O8 triple chains made up of corner-sharing CuO4 square planes and a spin dimer analysis based on tight-binding and mapping analysis predicts that it has an antiferromagnetic spin ground state and has no spin frustration, both in agreement with experiment. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2008 journal article

Effects of spin-orbit coupling on magnetic properties of discrete and extended magnetic systems

JOURNAL OF COMPUTATIONAL CHEMISTRY, 29(13), 2187–2209.

By: D. Dai n, H. Xiang n & M. Whangbo n

author keywords: spin-orbit coupling; magnetic properties; spin angular momentum; orbital angular momentum
TL;DR: This review surveyed quantum mechanical descriptions on how these states are affected by spin‐ orbit coupling and attempted to provide a conceptual framework with which to think about spin‐orbit coupling and its applications. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2008 journal article

Electronic structure study of the [Ag-Ag](4-), [Au-Au](4-), and [Hg-Hg](2-) zintl anions in the intermetallic compounds Yb3Ag2, Ca5Au4, and Ca3Hg2: Transition metal anions as p-metal elements

CHEMISTRY OF MATERIALS, 20(8), 2751–2756.

By: J. Koehler & M. Whangbo n

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2008 journal article

Enhanced Ferromagnetism and Tunable Saturation Magnetization of Mn/C-Codoped GaN Nanostructures Synthesized by Carbothermal Nitridation

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 130(48), 16366–16373.

By: Z. Wang n, B. Huang n, L. Yu n, Y. Dai n, P. Wang n, X. Qin n, X. Zhang n, J. Wei n ...

TL;DR: This work suggests that carbon doping in the GaN matrix favors the N sites over the Ga sites, Mn/C- codoping in theGaN matrix is energetically favorable, and the C-codoping strongly enhances the preference of the FM coupling to the AFM coupling between the two doped Mn sites. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2008 journal article

Experimental and Theoretical Characterization of the Magnetic Properties of CuF2(H2O)(2)(pyz) (pyz = pyrazine): A Two-Dimensional Quantum Magnet Arising from Supersuperexchange Interactions through Hydrogen Bonded Paths

CHEMISTRY OF MATERIALS, 20(24), 7408–7416.

By: J. Manson*, M. Conner*, J. Schlueter*, A. McConnell*, H. Southerland*, I. Malfant*, T. Lancaster*, S. Blundell* ...

Source: Web Of Science
Added: August 6, 2018

2008 journal article

Investigation of the Vanadyl Bond Ordering and Analysis of the Spin Exchange Interactions in Pb2V3O9 and Pb(2)AS(2)VO(9)

CHEMISTRY OF MATERIALS, 20(22), 6929–6938.

By: O. Mentre*, H. Koo* & M. Whangbo n

Source: Web Of Science
Added: August 6, 2018

2008 journal article

Investigation of the scanning tunneling microscopy image, the stacking pattern and the bias-voltage dependent structural imstability of 2,2'-bipyridine molecules adsorbed on Au(111) in terms of electronic structure calculations

Bulletin of the Korean Chemical Society, 29(2), 438–444.

By: Y. Suh, S. Park, J. Kang, Y. Hwang, D. Jung, D. Kim, K. Lee, M. Whangbo

Source: NC State University Libraries
Added: August 6, 2018

2008 journal article

Kinetics of Coloration in Photochromic Organoammonium Polyoxomolybdates

INORGANIC CHEMISTRY, 48(2), 574–580.

By: R. Dessapt n, M. Collet n, V. Coue n, M. Bujoli-Doeuff n, S. Jobic n, C. Lee n, M. Whangbo n

MeSH headings : Color; Hydrogen / chemistry; Hydrogen Bonding; Kinetics; Models, Chemical; Molybdenum / chemistry; Organometallic Compounds / chemistry; Photochemical Processes; Quantum Theory; Quaternary Ammonium Compounds / chemistry; Spectrophotometry, Ultraviolet
TL;DR: The rates of coloration, which increase in the order 1 < 3, 2 < 4, are related to the decrease in the concentration of reducible Mo(6+) centers with irradiation time and follow a second-order reaction law because the event of light absorption at a reducibleMo( 6+) site does not necessarily coincide with that of the N(+)-H bond breaking in the N-H...O hydrogen bond associated with the Mo(5+) site. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2008 journal article

Late transition metal anions acting as p-metal elements

SOLID STATE SCIENCES, 10(4), 444–449.

By: J. Koehler & M. Whangbo n

author keywords: zintl anion; transition metal anion; electronic structure; density functional characterization; intermetallic compound; p metals
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2008 journal article

On the anisotropy of the magnetic properties of CsYbZnSe3

INORGANIC CHEMISTRY, 47(5), 1687–1692.

By: G. Chan n, C. Lee n, D. Dai n, M. Whangbo n & J. Ibers n

TL;DR: First-principles electronic structure calculations with and without inclusion of spin-orbit coupling effects show that the spins of CsYbZnSe 3 prefer to orient along [010] rather than along either [100] or [001] of this orthorhombic material and that the spin exchange between adjacent Yb3+ ions along [ 100] is substantially antiferromagnetic. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2008 journal article

On the cyclability of the thermochromism in CuMoO4 and its tungsten derivatives CuMo1-xWxO4 (x < 0.12)

On the cyclability of the thermochromism in CuMoO4 and its tungsten derivatives CuMo1-xWxO4 (x < 0.12). CHEMISTRY OF MATERIALS, 20(6), 2075–2077.

By: A. Thiry*, M. Gaudon*, C. Payen*, N. Daro*, J. Letard*, S. Gorsse*, P. Deniard*, X. Rocquefelte* ...

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2008 journal article

On the possibility of ferromagnetism in carbon-doped anatase TiO2

Applied Physics Letters, 93(13).

By: K. Yang, Y. Dai, B. Huang & M. Whangbo

Source: NC State University Libraries
Added: August 6, 2018

2008 journal article

Origin of the structural and magnetic anomalies of the layered compound SrFeO2: A density functional investigation

PHYSICAL REVIEW LETTERS, 100(16).

By: H. Xiang*, S. Wei* & M. Whangbo n

TL;DR: The structural and magnetic anomaly of the layered compound SrFeO2 are examined by first-principles density functional calculations and Monte Carlo simulations and show that the strong interlayer spin exchange is essential for the high Néel temperature. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2008 journal article

Spin-orbit coupling and ion displacements in multiferroic TbMnO(3)

PHYSICAL REVIEW LETTERS, 101(3).

By: H. Xiang*, S. Wei*, M. Whangbo n & J. Da Silva*

TL;DR: This work shows that, due to spin-orbit coupling, the spin-spiral plane of TbMnO3 can be either the bc or ab plane, but not the ac plane, and reveals that the "pure electronic" model by Katsura, Nagaosa, and Balatsky is inadequate in predicting the absolute direction of FE polarization. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2008 journal article

Structure and magnetic properties of oxychalcogenides A(2)F(2)Fe(2)OQ(2) (A = sr, ba; Q = s, se) with Fe2O square planar layers representing an antiferromagnetic checkerboard spin lattice

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 130(26), 8261–8270.

By: H. Kabbour n, E. Janod n, B. Corraze n, M. Danot n, C. Lee n, M. Whangbo n, L. Cario n

TL;DR: The calculated spin exchange interactions show that the A2F2Fe2OQ2 (A = Sr, Ba; Q = S, Se) compounds represent a rare example of a frustrated antiferromagnetic checkerboard lattice. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2007 journal article

Absence of a spiral magnetic order in Li2CuO2 containing one-dimensional CuO2 ribbon chains

PHYSICAL REVIEW B, 76(22).

By: H. Xiang n, C. Lee n & M. Whangbo n

Source: Web Of Science
Added: August 6, 2018

2007 journal article

Analysis of the spin lattice model for the spin-gapped layered compounds Na3Cu2SbO6 and Na2Cu2TeO6 on the basis of electronic structure calculations

INORGANIC CHEMISTRY, 47(1), 128–133.

By: H. Koo n & M. Whangbo n

TL;DR: The spin lattice model for the spin-gapped layered magnetic solids Na3Cu2SbO6 and Na2Cu2TeO6 was examined by evaluating the three spin exchange interactions of their Cu2MO6 layers in terms of spin dimer analysis based on extended Hückel tight binding calculations and mapping analysis based upon first principles density functional theory electronic band structure calculations. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2007 journal article

Charge order and the origin of giant magnetocapacitance in LuFe2O4

PHYSICAL REVIEW LETTERS, 98(24).

By: H. Xiang n & M. Whangbo n

TL;DR: The giant magnetocapacitance effect of LuFe(2)O(4) at room temperature is accounted for in terms of charge fluctuations arising from the interconversion between the two types of charge order, that becomes hindered by an applied magnetic field. (via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2007 journal article

Charge order superstructure with integer iron valence in Fe2OBO3

PHYSICAL REVIEW LETTERS, 99(8).

By: M. Angst*, P. Khalifah*, R. Hermann*, H. Xiang n, M. Whangbo n, V. Varadarajan*, J. Brill*, B. Sales*, D. Mandrus*

MeSH headings : Iron / chemistry; Spectroscopy, Mossbauer; X-Ray Diffraction
TL;DR: Bond-valence-sum analysis indicates integer valence states of the Fe ions in the charge ordered phase, suggesting Fe(2)OBO(3) is the clearest example of ionic charge order so far. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2007 article

Concept of optical channel as a guide for tuning the optical properties of insulating materials

Rocquefelte, X., Jobic, S., & Whangbo, M.-H. (2007, July). SOLID STATE SCIENCES, Vol. 9, pp. 600–603.

By: X. Rocquefelte*, S. Jobic n & M. Whangbo n

author keywords: UV-shield; optical channel; dielectric function; density functional calculations
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2007 journal article

Cooperative effect of electron correlation and spin-orbit coupling on the electronic and magnetic properties of Ba2NaOsO6

PHYSICAL REVIEW B, 75(5).

By: H. Xiang n & M. Whangbo n

Source: Web Of Science
Added: August 6, 2018

2007 journal article

Density-functional characterization of the multiferroicity in spin spiral chain cuprates

PHYSICAL REVIEW LETTERS, 99(25).

By: H. Xiang n & M. Whangbo n

TL;DR: The ferroelectricity of the spiral magnets LiCu2O2 and LiCuVO4 was examined by calculating the electric polarizations of their spin spiral states on the basis of density-functional theory with spin-orbit coupling, and it is unambiguously revealed that spin- orbit coupling is responsible for the ferro electricity with the primary contribution from the spin- Orbit coupling on the Cu sites, but the asymmetric density distributionresponsible for the electric polarization occurs mainly around the O atoms. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2007 journal article

First-principles study of the electronic and magnetic structures of the tetragonal and orthorhombic phases of Ca3Mn2O7

PHYSICAL REVIEW B, 76(5).

By: S. Matar*, V. Eyert*, A. Villesuzanne* & M. Whangbo n

Source: Web Of Science
Added: August 6, 2018

2007 journal article

Incommensurate charge order phase in Fe2OBO3 due to geometrical frustration

PHYSICAL REVIEW LETTERS, 99(25).

TL;DR: The temperature dependence of charge order in Fe2OBO3 was investigated by resistivity and differential scanning calorimetry measurements, Mössbauer spectroscopy, and synchrotron x-ray scattering, revealing an intermediate phase between room temperature and 340 K, characterized by coexisting mobile and immobile carriers and by incommensurate superstructure modulations with temperature-dependent propagation vector. (via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2007 journal article

IrIn7GeO8=[IrIn6](GeO4)(InO4) and compounds of the solid solution series [IrIn6](Ge1+xIn1-4x/O-3(8)) (0 <= x <= 0.75): First oxides containing [IrIn6] octahedra

ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 633(9), 1464–1471.

By: J. Koehler, H. Friedrich*, C. Lee n & M. Whangbo n

author keywords: IrIn7GeO8; [IrIn6](Ge1+xIn1-4x/3O8) (0 <= x <= 0.75); cluster compounds; iridium oxide; indates; germanates; electronic structure calculations; transition metal anions
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2007 journal article

Magnetic properties of synthetic libethenite Cu2PO4OH: a new spin-gap system

INORGANIC CHEMISTRY, 46(21), 8684–8689.

TL;DR: Vibrational properties studied with Raman spectroscopy and the thermal stability of Cu(2)PO(4)OH are reported and magnetic properties investigated by magnetic susceptibility, magnetization, and specific heat measurements. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2007 journal article

On the correct spin lattice for the spin-gapped magnetic solid NH4CuPO4 center dot H2O

JOURNAL OF SOLID STATE CHEMISTRY, 181(2), 276–281.

By: H. Koo* & M. Whangbo n

author keywords: spin dimer analysis; electronic band structure calculations; spin exchange interactions; NH4CuPO4 center dot H2O
Source: Web Of Science
Added: August 6, 2018

2007 journal article

On the electronic structure required for the uniaxial magnetic properties of the magnetic metal SrCo6O11

CHEMISTRY OF MATERIALS, 19(11), 2712–2714.

By: C. Lee n, M. Whangbo n & A. Villesuzanne n

Source: Web Of Science
Added: August 6, 2018

2007 journal article

On the origin of a band gap in compounds of diamond-like structures

INORGANIC CHEMISTRY, 46(6), 1957–1959.

By: J. Koehler, S. Deng, C. Lee & M. Whangbo*

TL;DR: Electronic structure calculations were performed to examine the origin of a band gap present in most 18-electron half-Heusler compounds and its absence in NaTl, and implications of these observations on the formal oxidation state and the covalent bonding of the transition-metal atoms in 18- ELECTRON half- heusler and related compounds were discussed. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2007 article

On the phosphorescence mechanism in SrAl2O4 : Eu2+ and its codoped derivatives

Clabau, F., Rocquefelte, X., Jobic, S., Deniard, P., Whangbo, M.-H., Garcia, A., & Le Mercier, T. (2007, July). SOLID STATE SCIENCES, Vol. 9, pp. 608–612.

By: F. Clabau*, X. Rocquefelte*, S. Jobic*, P. Deniard*, M. Whangbo n, A. Garcia*, T. Le Mercier

author keywords: phosphorescence; mechanism; SrAl2O4; electron trap; dopant; trap depth
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2007 journal article

On the relevance of an antiferromagnetic dimer model for the spin-gapped magnetic solids Cu(terpy)Mo2O7 and Cu(OH)(p-pyc)H2O

INORGANIC CHEMISTRY, 46(7), 2498–2502.

By: H. Koo*, C. Lee n, G. Wilson-Short n, D. Dai n & M. Whangbo n

TL;DR: This analysis shows that an antiferromagnetic dimer model is correct for both compounds because of the anisotropic overlap between the magnetic orbitals of their Cu2+ sites. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2007 journal article

Predicting anisotropic electrical conductivities of a magnetic insulator on the basis of its magnetic properties

CHEMISTRY OF MATERIALS, 19(18), 4393–4395.

By: K. Lee n, R. Dieckmann n, C. Lee n & M. Whangbo n

UN Sustainable Development Goal Categories
13. Climate Action (Web of Science)
14. Life Below Water (Web of Science)
Source: Web Of Science
Added: August 6, 2018

2007 journal article

Resolving the aluminum ordering in aluminosilicates by a combined experimental/theoretical study of Al-27 electric field gradients

INORGANIC CHEMISTRY, 46(14), 5456–5458.

TL;DR: The discrimination between atomic species in light-element materials is a challenging question and the question of whether the difference between local and extended orders is intrinsic or caused by the difficulty of obtaining an accurate picture of the long-range order from diffraction techniques is resolved. (via Semantic Scholar)
UN Sustainable Development Goal Categories
13. Climate Action (Web of Science)
14. Life Below Water (Web of Science)
Source: Web Of Science
Added: August 6, 2018

2007 journal article

Spin dimer analysis of the magnetic structures of A(2)V(3)O(9) (A = Ba, Sr) and eta-Na9V14O35: Importance of the V4+-O center dot center dot center dot O-V4+ super- superexchange interactions mediated by the O-V5+-O bridges

SOLID STATE SCIENCES, 9(9), 824–832.

By: H. Koo* & M. Whangbo n

author keywords: spin exchange interaction; spin dimer analysis; magnetic orbital; Ba2V3O9; Sr2V3O9; eta-Na9V14O35
Source: Web Of Science
Added: August 6, 2018

2007 journal article

Structural and magnetic properties of a new type of ordered oxygen-deficient perovskite, KMnVO4

CHEMISTRY OF MATERIALS, 19(23), 5563–5569.

By: H. Ben Yahia n, E. Gaudin n, C. Lee n, M. Whangbo n & J. Darriett

UN Sustainable Development Goal Categories
6. Clean Water and Sanitation (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2007 journal article

Stuffed graphite-like vs. stuffed diamond-like structures of the 18 valence electron compounds REAuSn (RE = sc, y, la-nd, sm, gd-lu)

ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 633(15), 2631–2634.

By: C. Lee n, M. Whangbo n & J. Koehler

author keywords: intermetallic phases; half-heusler compound; electronic; structure
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2007 journal article

Tight-binding electronic structure study of the beta '- and beta ''-phases of the organic conducting salts (BEDT-TTF)(2)(IBr2)(0.2)(BrICI)(0.1)(ICI2)(0.7)]

Bulletin of the Korean Chemical Society, 28(2), 241–245.

By: H. Koo & M. Whangbo

Source: NC State University Libraries
Added: August 6, 2018

2006 journal article

Characterization of the crystal and magnetic structures of the mixed-anion coordination polymer Cu(HCO2)(NO3)(pyz) {pyz = pyrazine} by X-ray diffraction, ac magnetic susceptibility, dc magnetization, muon-spin relaxation, and spin dimer analysis

INORGANIC CHEMISTRY, 46(1), 213–220.

By: J. Manson*, T. Lancaster*, J. Schlueter*, S. Blundell*, M. Brooks*, F. Pratt*, C. Nygren*, H. Koo*, D. Dai*, M. Whangbo*

TL;DR: The mixed-anion coordination polymer Cu(HCO2)(NO3)(pyz) was synthesized, its crystal structure was determined by X-ray diffraction, and its magnetic structure was characterized by ac susceptibility, dc magnetization, muon-spin relaxation, and spin dimer analysis. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2006 journal article

Comparison of the crystal structures and magnetic properties of the low- and high-temperature forms of AgCuPO4: Crystal structure determination, magnetic susceptibility measurements, and spin dimer analysis

INORGANIC CHEMISTRY, 45(14), 5501–5509.

By: H. Ben Yahia*, E. Gaudin*, J. Darriet*, D. Dai n & M. Whangbo n

TL;DR: The analysis indicates that the spin lattice of alpha-AgCuPO4 would be better described by a two-dimensional net made up of weakly interacting alternating chains, and that the strongest spin exchange in both forms of Ag CuPO4 comes from a super-superexchange path. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2006 journal article

Electronic structure analysis of the difference between Cs2AgF4 and Rb2MnF4 in their magnetic properties and single-crystal structure determination of Rb2MnF4

CHEMISTRY OF MATERIALS, 18(14), 3281–3286.

By: D. Dai*, M. Whangbo*, J. Koehler, C. Hoch* & A. Villesuzanne*

UN Sustainable Development Goal Categories
13. Climate Action (Web of Science)
Source: Web Of Science
Added: August 6, 2018

2006 journal article

First principles investigation of the electronic structure of La2MnNiO6: An insulating ferromagnet

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 308(1), 116–119.

By: S. Matar*, M. Subramanian*, A. Villesuzanne*, V. Eyert* & M. Whangbo n

author keywords: ferromagnetic oxide; DFT; LAPW; LSDA; GGA
Source: Web Of Science
Added: August 6, 2018

2006 journal article

Formulation of phosphorescence mechanisms in inorganic solids based on a new model of defect conglomeration

CHEMISTRY OF MATERIALS, 18(14), 3212–3220.

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2006 journal article

Importance of the O-M-O bridges (M = V5+, Mo6+) for the spin-exchange interactions in the magnetic oxides of Cu2+ ions bridged by MO4 tetrahedra: Spin-lattice models of Rb2Cu2(MoO4)(3), BaCu2V2O8, and KBa3Ca4Cu3V7O28

INORGANIC CHEMISTRY, 45(11), 4440–4447.

By: H. Koo* & M. Whangbo n

TL;DR: This study shows that the O-M-O bridges (M = V5+, Mo6+) between the magnetic ions Cu2+, provided by the MO4 tetrahedra, are crucial for the spin-exchange interactions and hence for deducing thespin-lattice models needed to interpret the magnetic properties of these oxides. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2006 journal article

On the conflicting pictures of magnetism for the frustrated triangular lattice antiferromagnet CuFeO2

CHEMISTRY OF MATERIALS, 18(5), 1268–1274.

By: M. Whangbo n, D. Dai n, K. Lee* & R. Kremer*

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2006 journal article

On the disorder of the Cl atom position in and its probable effect on the magnetic properties of (CuCl)LaNb2O7

INORGANIC CHEMISTRY, 45(16), 6227–6234.

By: M. Whangbo n & D. Dai n

TL;DR: This study suggests that the CuCl4O2 octahedra of each CuClO2 layer should be arranged such that the resulting spin lattice does not have uniform chains but ring clusters containing an even number of Cu atoms. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2006 journal article

On the origin of the metallic and anisotropic magnetic properties of NaxCoO2 (x approximate to 0.75)

INORGANIC CHEMISTRY, 45(15), 5989–5995.

By: M. Whangbo n, D. Dai n & R. Kremer*

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2006 journal article

On the volume-dependence of the index of refraction from the viewpoint of the complex dielectric function and the Kramers-Kronig relation

JOURNAL OF PHYSICAL CHEMISTRY B, 110(6), 2511–2514.

By: X. Rocquefelte n, S. Jobic n & M. Whangbo n

TL;DR: How indices of refraction n(omega) of insulating solids are affected by the volume dilution of an optical entity and the mixing of different, noninteracting simple solid components was examined on the basis of the dielectric function epsilon(1)(omega), which is well approximated by a linear relation between n and 1/V. (via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2006 journal article

Spin dimer analysis of the magnetic structures of Ba3Cr2O8, Ba3Mn2O8, Na4FeO4, and Ba2CoO4 with a three-dimensional network of isolated MO4 (M = Cr, Mn, Fe, Co) tetrahedra

INORGANIC CHEMISTRY, 45(26), 10743–10749.

By: H. Koo*, K. Lee n & M. Whangbo n

TL;DR: The comparison of the intra- and interdimer spin exchange interactions of Ba3Cr2O8 and Ba3Mn 2O8 indicates that orbital ordering should be present in Ba3 Cr2 O8, and a weakly interacting isolated AFM dimer model is predicted. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2006 journal article

Structural and magnetic dimers in the spin-gapped system CuTe2O5

PHYSICAL REVIEW B, 74(17).

By: J. Deisenhofer*, R. Eremina, A. Pimenov*, T. Gavrilova, H. Berger*, M. Johnsson*, P. Lemmens*, H. Nidda* ...

Source: Web Of Science
Added: August 6, 2018

2006 journal article

Structural model of planar defects in CaCu3Ti4O12 exhibiting a giant dielectric constant

CHEMISTRY OF MATERIALS, 18(14), 3257–3260.

By: M. Whangbo n & M. Subramanian*

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2006 journal article

Synthesis, structure, and properties of a new family of mixed-framework chalcohalide semiconductors: CdSbS2X (X = Cl, Br), CdBiS2X (X = Cl, Br), and CdBiSe2X (X = Br, I)

CHEMISTRY OF MATERIALS, 18(5), 1219–1225.

By: L. Wang n, Y. Hung n, S. Hwu n, H. Koo n & M. Whangbo n

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2006 journal article

Transition-metal anions in solids and their implications on bonding

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 45(44), 7465–7469.

By: M. Whangbo n, C. Lee n & J. Koehler

author keywords: electronic structure; germanium; intermetallic phases; transition metals; Zintl anions
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2006 journal article

[Cu(HF2)(pyz)(2)]BF4 (pyz=pyrazine): long-range magnetic ordering in a pseudo-cubic coordination polymer comprised of bridging HF2- and pyrazine ligands

Chemical Communications (Cambridge, England), (47), 4894–4896.

By: J. Manson, M. Conner, J. Schlueter, T. Lancaster, S. Blundell, M. Brooks, F. Pratt, T. Papageorgiou ...

Source: NC State University Libraries
Added: August 6, 2018

2005 journal article

Analysis of the effect of spin-orbit coupling on the electronic structure and excitation spectrum of the Bi-2(2-) anion in (K-crypt)(2)Bi-2 on the basis of relativistic electronic structure calculations

JOURNAL OF PHYSICAL CHEMISTRY A, 109(8), 1675–1683.

By: D. Dai*, M. Whangbo*, A. Ugrinov*, S. Sevov*, F. Wang, L. Li, A. Villesuzanne*, A. Alekseyev*, H. Liebermann*, R. Buenker*

TL;DR: The extent of spin-orbit coupling, brought about by the relativistic effect, increases steadily in the order N < P < As < Sb < Bi such that the "closed-shell" state is more stable than the "open- shell" state for Bi2(2-). (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2005 journal article

Analysis of the refractive indices of TiO2, TiOF2, and TiF4: Concept of optical channel as a guide to understand and design optical materials

INORGANIC CHEMISTRY, 44(10), 3589–3593.

By: X. Rocquefelte*, F. Goubin*, Y. Montardi*, N. Viadere*, A. Demourgues*, A. Tressaud*, M. Whangbo*, S. Jobic*

TL;DR: This study indicates that the light-scattering properties of insulating compounds can be controlled by modifying their cell volumes, and the refractive indices of these compounds are found to be inversely proportional to theircell volumes per formula unit. (via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
13. Climate Action (Web of Science)
Source: Web Of Science
Added: August 6, 2018

2005 journal article

Analysis of the spin exchange interactions and the ordered magnetic structures of lithium transition metal phosphates LiMPO4 (M = Mn, Fe, Co, Ni) with the olivine structure

INORGANIC CHEMISTRY, 44(7), 2407–2413.

TL;DR: The olivine-type compounds LiMPO4 (M = Mn, Fe, Co, Ni) consist of MO4 layers made up of corner-sharing MO6 octahedra of high-spin M2+ ions that are antiferromagnetically coupled by the spin exchange J2, in agreement with available experimental data. (via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2005 journal article

Analysis of the uniaxial magnetic properties of high-spin d(6) ions at trigonal prism and linear two-coordinate sites: Uniaxial magnetic properties of Ca3Co2O6 and Fe[C(SiMe3)(3)](2)

INORGANIC CHEMISTRY, 44(12), 4407–4414.

By: D. Dai n & M. Whangbo n

Source: Web Of Science
Added: August 6, 2018

2005 journal article

Bonding and oxidation state of a transition metal atom encapsulated in an isolated octahedral cluster cation of main group elements: Synthesis, crystal structure, and electronic structure of Pt2In14Ga3O8F15 containing highly positive 18-electron complex [PtIn6](10+) and low-valent in(+) ions

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 127(7), 2277–2284.

By: J. Kohler n, J. Chang n & M. Whangbo n

TL;DR: The analysis indicates that the oxidation state of the Pt atom in [PtIn6]10+ is negative rather than positive, and for other octahedral cluster cations of main group elements stuffed with a transition metal atom it is most probably negative by studying their electronic structures. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2005 journal article

Dramatic variation of magnetic exchange through double end-on azide bridges in a series of ladder-like copper(II) coordination polymers

INORGANIC CHEMISTRY, 44(3), 638–648.

By: J. Woodward n, R. Backov n, K. Abboud n, D. Dai n, H. Koo n, M. Whangbo n, M. Meisel n, D. Talham n

TL;DR: It is shown that the nature and geometry of the nonbridging ligands can have a strong influence on the sign and strength of the spin exchange interaction between Cu2+ ions connected by double end-on azide bridges. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2005 journal article

Importance of supersuperexchange interactions in determining the dimensionality of magnetic properties. Determination of strongly interacting spin exchange paths in A(2)CU(PO4)(2) (A = Ba, Sr), ACuP(2)O(7) (Ba, Ca, Sr, Pb), CaCuGe2O6, and Cu2UO2(PO4)(2) on the basis of qualitative spin dimer analysis

INORGANIC CHEMISTRY, 44(12), 4359–4365.

By: H. Koo*, D. Dai n & M. Whangbo n

TL;DR: Supersuperexchange interactions are found to be crucial in determining the dimensionality of magnetic properties of these magnetic oxides. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2005 journal article

Investigation of the crystal structure and the structural and magnetic properties of SrCu2(PO4)(2)

INORGANIC CHEMISTRY, 44(19), 6632–6640.

By: A. Belik*, M. Azuma*, A. Matsuo*, M. Whangbo*, H. Koo*, J. Kikuchi*, T. Kaji*, S. Okubo* ...

TL;DR: The magnetic properties of SrCu2(PO4)2 were investigated by magnetic susceptibility, magnetization up to 65 T, Cu nuclear quadrupole resonance (NQR), electron-spin resonance, and specific heat measurements, and its vibrational properties studied with Raman spectroscopy. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2005 journal article

Investigation of the scanning tunneling microscopy image, the stacking pattern, and the bias-voltage-dependent structural instability of 1,10 '-phenanthroline molecules adsorbed on Au(111) in terms of electronic structure calculations

JOURNAL OF PHYSICAL CHEMISTRY B, 109(32), 15322–15326.

By: K. Lee*, Y. Suh*, C. Lee*, Y. Hwang*, H. Koo* & M. Whangbo n

UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2005 journal article

Large negative magnetoresistance of the rare-earth transition-metal intermetallic compound PrMnSi2

CHEMISTRY OF MATERIALS, 17(25), 6338–6341.

By: S. Kim*, D. Seo*, R. Kremer*, M. Kohler*, A. Villesuzanne n & M. Whangbo n

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2005 journal article

Mechanism of phosphorescence appropriate for the long-lasting phosphors Eu2+-doped SrAl2O4 with codopants Dy3+ and B3+

CHEMISTRY OF MATERIALS, 17(15), 3904–3912.

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2005 journal article

Observation of unusual hysteretic magnetic properties of the rare earth intermetallic compound PrMnSi2: Magnetic susceptibility, magnetization, heat capacity, and electronic band structure studies

CHEMISTRY OF MATERIALS, 17(14), 3711–3716.

By: S. Kim, D. Seo, R. Kremer*, J. Kohler*, A. Villesuzanne* & M. Whangbo*

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2005 journal article

Spin dimer and electronic band structure analyses of the ferromagnetism versus antiferromagnetism in SeCuO3 and TeCuO3

CHEMISTRY OF MATERIALS, 17(17), 4350–4355.

Source: Web Of Science
Added: August 6, 2018

2005 journal article

Spin dimer, electronic band structure and classical spin analyses of spin exchange interactions and ordered magnetic structures of magnetic solids

SOLID STATE SCIENCES, 7(7), 827–852.

By: M. Whangbo n, D. Dai n & H. Koo*

Source: Web Of Science
Added: August 6, 2018

2005 journal article

Structural and electronic factors controlling the refractive indices of the chalcogenides ZnQ and CdQ (Q = O, S, Se, Te)

INORGANIC CHEMISTRY, 44(10), 3594–3598.

By: X. Rocquefelte n, M. Whangbo n & S. Jobic n

MeSH headings : Cadmium / chemistry; Chalcogens / chemistry; Electrochemistry; Oxygen / chemistry; Selenium / chemistry; Sulfur / chemistry; Tellurium / chemistry; Thermodynamics; Zinc / chemistry
TL;DR: The total absorption power per formula unit is found to allow one to distinguish the effect of the chromophore from that of the cell volume on the refractive indices of insulating inorganic compounds. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2005 journal article

Synthesis and characterization of [PtIn6](GeO4)(2)O and its solid solution [PtIn6](GaO4)(2-x)(GeO4)(x)O-x/2 (0 <= x <= 2): Gradual color change of the solid solution from black (x=0) to yellow (x=2) as a consequence of quantum dot effect

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 127(37), 12990–12996.

By: J. Kohler n, H. Friedrich n, M. Whangbo n & A. Villesuzanne n

MeSH headings : Color; Crystallography, X-Ray; Germanium / chemistry; Indium / chemistry; Magnetics; Models, Molecular; Platinum / chemistry; Quantum Dots
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2005 journal article

Synthesis, crystal structure, magnetic properties, and electronic structure of the new ternary vanadate CuMnVO4

INORGANIC CHEMISTRY, 44(9), 3087–3093.

By: H. Yahia*, E. Gaudin*, J. Darriet*, M. Banks, R. Kremer, A. Villesuzanne n, M. Whangbo n

TL;DR: This work shows that CuMnVO4 undergoes a three-dimensional antiferromagnetic transition at approximately 20 K, and both the intrachain and interchain spin exchanges are antiferromeagnetic, and the inter chain spin exchange is not negligible compared to the intrACHain spin exchange. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2005 journal article

Synthesis, structure, and magnetic properties of the layered copper(II) oxide Na2Cu2TeO6

INORGANIC CHEMISTRY, 44(14), 5042–5046.

By: J. Xu n, A. Assoud n, N. Soheilnia n, S. Derakhshan n, H. Cuthbert n, J. Greedan n, M. Whangbo n, H. Kleinke n

TL;DR: A new quaternary layered transition-metal oxide, Na2Cu2TeO6, has been synthesized under air using stoichiometric mixtures of Na2CO3, CuO, and TeO2, with the surprising result that the stronger intrachain coupling involves a super-superexchange pathway with a Cu-Cu separation of >5 A. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2005 journal article

Understanding low-energy magnetic excitations and hydrogen bonding in VOHPO4 center dot(2H2O)-H-1

PHYSICAL REVIEW B, 72(21).

By: J. Cao*, J. Haraldsen*, S. Brown*, J. Musfeldt*, . Thompson*, S. Zvyagin*, J. Krzystek*, M. Whangbo n, S. Nagler*, C. Torardi*

Source: Web Of Science
Added: August 6, 2018

2005 journal article

Understanding the color properties of (C5H9NH3)(2)CuBr4 in high magnetic fields

PHYSICAL REVIEW B, 71(17).

Source: Web Of Science
Added: August 6, 2018

2005 journal article

Unpaired spin populations and spin-pairing tendencies of the nonequivalent vanadium sites of the magnetic metal NaV6O11 investigated by electronic band structure calculations and spin dimer analysis

CHEMISTRY OF MATERIALS, 17(17), 4344–4349.

By: A. Villesuzanne n, M. Whangbo n & H. Koo*

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2005 journal article

Why pressure induces an abrupt structural rearrangement in PdTe2 but not in PtTe2

JOURNAL OF SOLID STATE CHEMISTRY, 178(6), 2008–2014.

By: C. Soulard*, P. Petit*, P. Deniard*, M. Evain*, S. Jobic*, M. Whangbo n, A. Dhaussy*

author keywords: PdTe2; PtTe2; X-ray diffraction
Source: Web Of Science
Added: August 6, 2018

2004 journal article

Classical spin and quantum-mechanical descriptions of geometric spin frustration

JOURNAL OF CHEMICAL PHYSICS, 121(2), 672–680.

By: D. Dai n & M. Whangbo n

TL;DR: Geometric spin frustration (GSF) in isolated plaquettes with local spin s, i.e., an equilateral-triangle spin trimer and a regular-tetrahedron spin tetramer was examined on the basis of classical spin and quantum-mechanical descriptions to clarify their differences and similarities. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2004 journal article

Experimental and theoretical characterization of the optical properties of CeO2, SrCeO3, and Sr2CeO4 containina Ce4+ (f(0)) ions

CHEMISTRY OF MATERIALS, 16(4), 662–669.

By: F. Goubin*, X. Rocquefelte*, M. Whangbo*, Y. Montardi*, R. Brec* & S. Jobic*

UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2004 journal article

Experimental and theoretical investigation on the relative stability of the PdS2- and pyrite-type structures of PdSe2

Inorganic Chemistry, 43(6), 1943–1949.

By: C. Soulard, X. Rocquefelte, P. Petit, M. Evain, S. Jobic, J. Itie, P. Munsch, H. Koo, M. Whangbo

Source: NC State University Libraries
Added: August 6, 2018

2004 journal article

Investigation of the electronic and structural properties of potassium hexaboride, KB6, by transport, magnetic susceptibility, EPR, and NMR measurements, temperature-dependent crystal structure determination, and electronic band structure calculations

INORGANIC CHEMISTRY, 43(16), 4974–4987.

By: A. Ammar*, M. Menetrier*, A. Villesuzanne*, S. Matar*, B. Chevalier*, J. Etourneau*, G. Villeneuve*, J. Rodriguez-Carvajal* ...

Contributors: A. Ammar*, M. Ménétrier*, A. Villesuzanne*, S. Matar*, B. Chevalier*, J. Etourneau*, G. Villeneuve*, J. Rodríguez-Carvajal* ...

TL;DR: The temperature-dependent crystal structure determination of KB(6) shows the occurrence of an unusual variation in the unit cell parameter hence supporting that the hysteresis of the magnetic susceptibility is a bulk phenomenon. (via Semantic Scholar)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018

2004 journal article

Investigation of the incommensurate and commensurate magnetic superstructures of LiCuVO4 and CuO on the basis of the isotropic spin exchange and classical spin approximations

INORGANIC CHEMISTRY, 43(13), 4026–4035.

By: D. Dai n, H. Koo n & M. Whangbo n

TL;DR: The incommensurate superstructure of CuO becomes commensurate by a slight change in one interchain spin exchange interaction, which is due probably to a slight structure change brought about by the temperature lowering. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2004 journal article

Investigation of the origin of the empirical relationship between refractive index and density on the basis of first principles calculations for the refractive indices of various TiO2 phases

INORGANIC CHEMISTRY, 43(7), 2246–2251.

By: X. Rocquefelte n, F. Goubin n, H. Koo n, M. Whangbo n & S. Jobic n

TL;DR: This study indicates that the major factor influencing n in a series of closely related systems is the structure compactness, and suggests a way of preparing new UV absorbers with low refractive index. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2004 journal article

Investigation of the relative stabilities of various allotropic phases of elemental tellurium under pressure and their interconversion paths by electronic structure calculations and crystal structure analyses

JOURNAL OF SOLID STATE CHEMISTRY, 177(12), 4724–4731.

By: C. Soulard*, X. Rocquefelte*, M. Evain*, S. Jobic*, H. Koo* & M. Whangbo n

author keywords: tellurium; phase transition; high pressure; electronic structure
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (Web of Science; OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2004 journal article

Magneto-optical properties of Li0.9Mo6O17: Color change in applied magnetic field

PHYSICAL REVIEW B, 70(8).

UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2004 journal article

Reexamination of the magnetic properties of Cu-2(dca)(4)(2,5-me(2)pyz) {dca = dicyanamide; me(2)pyz = dimethylpyrazine}: isolated spin-1/2 dimers versus long-range magnetic ordering

INORGANIC CHEMISTRY, 43(13), 4007–4011.

By: J. Manson n, J. Schlueter n, H. Koo n & M. Whangbo n

TL;DR: The bulk magnetic susceptibility chi(T) and the isothermal M(H) of Cu(2)(dca)(4)(2,5-me(2)pyz) are shown to be well described by an isolated dimer model and this finding was confirmed by carrying out a spin dimer analysis based on tight-binding calculations. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2004 journal article

Spin dimer and classical spin analyses of the ordered magnetic structures of alkali iron pyrophosphates NaFeP2O7 and LiFeP2O7

Dalton Transactions (Cambridge, England : 2003), (19), 3019–3025.

By: M. Whangbo, D. Dai & H. Koo

Source: NC State University Libraries
Added: August 6, 2018

2004 journal article

Synthesis and characterization of a magnetic semiconductor Na2RuO4 containing one-dimensional chains of RU6+

Inorganic Chemistry, 43(1), 07-.

By: M. Shikano, R. Kremer, M. Ahrens, H. Koo, M. Whangbo & J. Darriet

Source: NC State University Libraries
Added: August 6, 2018

2004 journal article

Synthesis, optical properties and electronic structures of polyoxometalates K3P(Mo1-xWx)(12)O-40 (0 <= x <= 1)

JOURNAL OF SOLID STATE CHEMISTRY, 177(12), 4528–4534.

By: F. Goubin*, L. Guenee*, P. Deniard*, H. Koo*, M. Whangbo n, Y. Montardi, S. Jobic*

author keywords: polyoxometalates; K3P(Mo1-xWx)(12)O-40 (0 <= X <= 1); grain size; optical properties; HOMO-LUMO gaps
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2003 journal article

A discussion on the apparently puzzling structural, electrical and magnetic properties of BaVS3

JOURNAL OF SOLID STATE CHEMISTRY, 175(2), 384–388.

By: M. Whangbo n, H. Koo n, D. Dai n & A. Villesuzanne*

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2003 journal article

Analysis of the spin exchange interactions of ferromagnetic CdVO3 in terms of first principles and qualitative electronic structure calculations

JOURNAL OF SOLID STATE CHEMISTRY, 175(2), 341–347.

By: D. Dai n, H. Koo n & M. Whangbo n

Source: Web Of Science
Added: August 6, 2018

2003 journal article

Cu(HCO2)(2)L {L = pyrazine, 4,4 '-bipyridine}: employing the formate anion as a building block in three-dimensional coordination polymers

DALTON TRANSACTIONS, (14), 2905–2911.

By: J. Manson*, J. Lecher*, J. Gu*, U. Geiser*, J. Schlueter*, R. Henning*, X. Wang*, A. Schultz*, H. Koo n, M. Whangbo n

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2003 journal article

Interpretation of the magnetic structures of Cu2Te2O5X2 (X = Cl, Br) and Ca3.1Cu0.9RuO6 on the basis of electronic structure considerations: Cases for strong super-superexchange interactions involving Cu2+ ions

Inorganic Chemistry, 42(12), 3898–3906.

By: M. Whangbo, H. Koo, D. Dai & D. Jung

Source: NC State University Libraries
Added: August 6, 2018

2003 journal article

Investigation of the spin exchange interactions and magnetic structures of the CrVO4-type transition metal phosphates, sulfates, and vanadates by spin dimer analysis

INORGANIC CHEMISTRY, 42(19), 5932–5937.

By: H. Koo n, M. Whangbo n & K. Lee*

TL;DR: The CrVO(4)-type magnetic oxides MM'O(4) and MnSO(4), which consist of edge-sharing MO( 4) octahedral chains condensed with M'O (4) tetrahedra and exhibit a wide variety of magnetic structures, were examined by studying their spin exchange interactions on the basis of spin dimer analysis. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2003 journal article

Investigations of the oxidation states and spin distributions in Ca3Co2O6 and Ca3CoRhO6 by spin-polarized electronic band structure calculations

SOLID STATE COMMUNICATIONS, 125(7-8), 413–417.

By: M. Whangbo n, D. Dai n, H. Koo n & S. Jobic*

author keywords: magnetically ordered materials; electronic band structure; electronic states (localized)
Source: Web Of Science
Added: August 6, 2018

2003 journal article

Magnetic superstructures of cupric oxide CuO as ordered arrangements of one-dimensional antiferromagnetic chains

INORGANIC CHEMISTRY, 42(4), 1187–1192.

By: H. Koo n & M. Whangbo n

TL;DR: The local spin arrangement around each Cu(2+) ion is more balanced in the ordered spin structures leading to a (2a, b, 2c) supercell than in any other orderedspin structures. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2003 journal article

Metal-ligand bonding and rutile- versus CdI2-type structural preference in platinum dioxide and titanium dioxide

JOURNAL OF SOLID STATE CHEMISTRY, 175(2), 353–358.

By: C. Soulard*, X. Rocquefelte*, S. Jobic*, D. Dai n, H. Koo n & M. Whangbo n

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2003 review

Spin exchange interactions and magnetic structures of extended magnetic solids with localized spins: theoretical descriptions on formal, quantitative and qualitative levels

[Review of ]. JOURNAL OF SOLID STATE CHEMISTRY, 176(2), 417–481.

By: M. Whangbo n, H. Koo n & D. Dai n

author keywords: magnetic solids; spin exchange interactions; magnetic structures
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2003 journal article

Syntheses, structures, and optical properties of yellow Ce2SiS5, Ce6Si4S17, and Ce4Si3S12 materials

CHEMISTRY OF MATERIALS, 15(4), 828–837.

By: G. Gauthier n, S. Jobic n, M. Evain n, H. Koo n, M. Whangbo n, C. Fouassier n, R. Brec n

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2003 article

Synthesis of the highly ID conductor (THTTF)(4)I-19

Montgomery, L. K., Starkey, K. P., Engel, D. B., Bollinger, J., Tittelbach, M., Schweitzer, D., … Whangbo, M. H. (2003, March 13). SYNTHETIC METALS, Vol. 133, pp. 381–383.

By: L. Montgomery*, K. Starkey*, D. Engel*, J. Bollinger*, M. Tittelbach*, D. Schweitzer*, I. Heinen*, H. Koo n, M. Whangbo n

author keywords: organic conductors; X-ray; resistivity; ESR; band calculations
Source: Web Of Science
Added: August 6, 2018

2003 journal article

Trends in metal-biradical exchange interaction for first-row M-II(nitronyl nitroxide-semiquinone) complexes

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 125(6), 1607–1617.

By: D. Shultz n, K. Vostrikova n, S. Bodnar n, H. Koo n, M. Whangbo n, M. Kirk n, E. Depperman n, J. Kampf n

MeSH headings : Benzoquinones / chemistry; Catechols / chemistry; Crystallography, X-Ray; Magnetics; Metals, Heavy / chemistry; Molecular Structure; Nitrogen Oxides / chemistry
TL;DR: It is shown that intraligand exchange coupling is of paramount importance in stabilizing high-spin states of mixed metal-biradical complexes. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2003 journal article

Trends in the structure and bonding in the layered platinum dioxide and dichalcogenides PtQ(2) (Q = O, S, Se, Te)

JOURNAL OF SOLID STATE CHEMISTRY, 173(1), 114–121.

By: D. Dai n, H. Koo n, M. Whangbo n, C. Soulard*, X. Rocquefelte* & S. Jobic*

author keywords: layered platinum dioxide; layered platinum dichalcogenides; structure and bonding; electronic band structures
Source: Web Of Science
Added: August 6, 2018

2003 journal article

Unusual hysteresis in the magnetic susceptibility of cubic hexaboride KB6

INORGANIC CHEMISTRY, 42(14), 4242–4244.

By: J. Etourneau*, A. Ammar*, A. Villesuzanne*, G. Villeneuve*, B. Chevalier* & M. Whangbo*

Source: Web Of Science
Added: August 6, 2018

2002 journal article

A two-dimensional radical salt based upon BEDT-TTF and the dimeric, magnetic anion [Fe(tdas)(2)](2)(2-): (BEDT-TTF)(2)[Fe(tdas)(2)] (tdas=1,2,5-thiadiazole-3,4-dithiolate)

JOURNAL OF MATERIALS CHEMISTRY, 12(12), 3570–3577.

By: P. Deplano*, L. Leoni*, M. Mercuri*, J. Schlueter*, U. Geiser*, H. Wang*, A. Kini*, J. Manson* ...

Source: Web Of Science
Added: August 6, 2018

2002 journal article

Analysis of the electron localization, the anisotropy of electrical conductivity, the orbital ordering, and spin-exchange interactions in BaVS3 on the basis of first principles and semi-empirical electronic structure calculations

JOURNAL OF SOLID STATE CHEMISTRY, 165(2), 345–358.

By: M. Whangbo n, H. Koo n, D. Dai n & A. Villesuzanne*

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2002 journal article

Dimensionality effects on the optical properties of (PO2)(4)(WO3)(2m) (m=2, 4, 6, 7)

CHEMISTRY OF MATERIALS, 14(6), 2607–2615.

By: Z. Zhu*, J. Musfeldt*, H. Koo*, M. Whangbo*, Z. Teweldemedhin & M. Greenblatt

Source: Web Of Science
Added: August 6, 2018

2002 journal article

Effect of metal-ligand bond lengths on superexchange interactions in Jahn-Teller d(4) ion systems: Spin dimer analysis of the magnetic structure of marokite CaMn2O4

INORGANIC CHEMISTRY, 41(21), 5575–5581.

By: M. Whangbo n, H. Koo n, D. Dai n & D. Jung*

TL;DR: This work correctly describes the magnetic structure of CaMn(2)O(4) observed from neutron powder diffraction measurements and shows that the antiferromagnetic interactions of the Mn-O-Mn paths depend primarily on the asymmetry and themn-O bond length of the μMn-O bridge length, but not on the 90 degree angle Mn- o-mn bond angle. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2002 journal article

Effect of metal-oxygen covalent bonding on the competition between Jahn-Teller distortion and charge disproportionation in the perovskites of high-spin d(4) metal ions LaMnO3 and CaFeO3

Inorganic Chemistry, 41(7), 1920–1929.

TL;DR: This study shows that electron-electron repulsion causes the energy gap between the metal 3d and the oxygen 2p orbitals to become larger for the down-spin than for the up-spin-orbital interactions. (via Semantic Scholar)
Source: NC State University Libraries
Added: August 6, 2018

2002 journal article

Electrical resistivity, magnetic susceptibility, X-ray photoelectron spectroscopy, and electronic band structure studies of Cu-2.33-xV4O11

JOURNAL OF SOLID STATE CHEMISTRY, 166(2), 382–388.

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2002 article

Electron paramagnetic resonance in the quasi-two dimensional magnetic ludwigite Fe3O2BO3

Dumas, J., Tholence, J. L., Continentino, M., Fernandes, J. C., Guimaraes, R. B., & Whangbo, M. H. (2002, November). JOURNAL DE PHYSIQUE IV, Vol. 12, pp. 351–354.

By: J. Dumas, J. Tholence, M. Continentino, J. Fernandes, R. Guimaraes & M. Whangbo

Source: Web Of Science
Added: August 6, 2018

2002 journal article

Flux growth of vanadyl pyrophosphate, (VO)(2)P2O7, and spin dimer analysis of the spin exchange interactions of (VO)(2)P2O7 and vanadyl hydrogen phosphate, VO(HPO4)center dot 0.5H(2)O

INORGANIC CHEMISTRY, 41(18), 4664–4672.

By: H. Koo*, M. Whangbo*, P. VerNooy, C. Torardi & W. Marshall

Source: Web Of Science
Added: August 6, 2018

2002 journal article

Local and spatial disorder in beta ''-(ET)(2)SF5RSO3 solid solutions (R = CH2CF2, CHF, CHFCF2)

CHEMISTRY OF MATERIALS, 14(7), 2969–2976.

By: A. Garlach, J. Musfeldt, J. Pigos, B. Jones, I. Olejniczak, A. Graja, M. Whangbo n, J. Schlueter ...

UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2002 journal article

Magnetic properties of the low-dimensional cuprate Na5RbCu4(AsO4)(4)Cl-2

Physical Review. B, Condensed Matter and Materials Physics, 66(5), 052403–052401.

By: J. Clayhold, M. Ulutagay-Kartin, S. Hwu, H. Koo, M. Whangbo, A. Voigt, K. Eaiprasertsak

Source: NC State University Libraries
Added: August 6, 2018

2002 journal article

Magnetic susceptibility and spin exchange interactions of the hexagonal perovskite-type oxides Sr-4/3(Mn2/3Ni1/3)O-3

JOURNAL OF SOLID STATE CHEMISTRY, 163(2), 513–518.

By: A. El Abed*, E. Gaudin*, J. Darriet* & M. Whangbo n

Source: Web Of Science
Added: August 6, 2018

2002 journal article

Optical investigation of Na2V3O7 nanotubes

CHEMISTRY OF MATERIALS, 14(2), 924–930.

By: J. Choi, J. Musfeldt, Y. Wang*, H. Koo*, M. Whangbo*, J. Galy, P. Millet

Source: Web Of Science
Added: August 6, 2018

2002 journal article

Orbital interaction analysis of cooperative Jahn-Teller distortion, orbital ordering, spin ordering, and spin exchange interactions in magnetic solids

SOLID STATE SCIENCES, 4(3), 335–346.

By: M. Whangbo n & H. Koo n

Source: Web Of Science
Added: August 6, 2018

2002 journal article

Preparation, structure, and properties of a series of anisotropic oxychloride cluster compounds A(x)Nb(6)Cl(12)O(2) (A=K, Rb, Cs, or In)

JOURNAL OF ALLOYS AND COMPOUNDS, 338(1-2), 218–228.

author keywords: clusters; niobium; oxychlorides; anisotropic materials; band structure; crystal structure
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2002 journal article

Spin dimer analysis of the spin exchange interactions in paramelaconite Cu4O3 and its analogue Ag2Cu2O3 and the spin ordering of the Cu2O3 spin lattice leading to their magnetic phase transitions

INORGANIC CHEMISTRY, 41(13), 3570–3577.

By: M. Whangbo n & H. Koo n

TL;DR: The authors' analysis indicates that spin fluctuation should occur in Cu(4)O(3), low-dimensional magnetism should be more important than magnetic frustration in Cu-4-O-3, and Ag(2)Cu(3) and Cu-3 should have similar structural and magnetic properties. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2002 review

Spin dimer analysis of the three-dimensional antiferromagnetic ordering in the quaternary manganese sulfides BaLn(2)MnS(5) (Ln = La, Ce, Pr)

[Review of ]. JOURNAL OF SOLID STATE CHEMISTRY, 169(2), 143–148.

By: H. Koo n, M. Whangbo n & K. Lee*

author keywords: spin exchange interactions; spin dimer analysis; quaternary manganese sulfides; BaLn(2)MnS(5)
Source: Web Of Science
Added: August 6, 2018

2002 journal article

Spin exchange interactions of a spin dimer: Analysis of broken-symmetry spin states in terms of the eigenstates of Heisenberg and Ising spin Hamiltonians

JOURNAL OF CHEMICAL PHYSICS, 118(1), 29–39.

By: D. Dai n & M. Whangbo n

Source: Web Of Science
Added: August 6, 2018

2002 journal article

Theoretical investigation of the spin exchange interactions and magnetic properties of the homometallic ludwigite Fe3O2BO3

INORGANIC CHEMISTRY, 41(8), 2193–2201.

By: M. Whangbo n, H. Koo n, J. Dumas* & M. Continentino*

TL;DR: The spin-orbital interaction energies calculated for various spin dimers of Fe (3)O(2)BO(3) provide estimates for the relative strengths of the associated spin exchange interactions, which in turn account for the observed magnetic properties of Fe(3). (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2002 journal article

Trifluoromethylsulfonyl-based salts of BEDT-TTF: Crystal and electronic structures and physical properties

JOURNAL OF SOLID STATE CHEMISTRY, 168(2), 524–534.

By: J. Schlueter*, U. Geiser*, H. Wang*, A. Kini*, B. Ward*, J. Parakka*, R. Daugherty*, M. Kelly* ...

author keywords: BEDT-TTF; trifluoromethylsulfonyl anions; charge transfer salt; electrical conductivity
Source: Web Of Science
Added: August 6, 2018

2001 journal article

Consequence of the metal-atom clustering on the magnetic properties in vanadium sulfide V5S8

JOURNAL OF SOLID STATE CHEMISTRY, 160(1), 287–291.

By: H. Koo n, D. Seo n & M. Whangbo n

Source: Web Of Science
Added: August 6, 2018

2001 journal article

Crystal structure, physical properties and electronic structure of a new organic conductor beta ''-(BEDT-TTF)(2)SF5CHFCF2SO3

JOURNAL OF MATERIALS CHEMISTRY, 11(8), 2008–2013.

By: J. Schlueter*, B. Ward*, U. Geiser*, H. Wang*, A. Kini*, J. Parakka*, E. Morales*, H. Koo n ...

Source: Web Of Science
Added: August 6, 2018

2001 journal article

Electronic structure study of scanning tunneling microscopy images of the rutile TiO2(110) surface and their implications on the surface relaxation

SURFACE SCIENCE, 473(3), 193–202.

By: D. Jung*, H. Koo n, D. Dai n & M. Whangbo n

author keywords: semi-empirical models and model calculations; scanning tunneling microscopy; titanium oxide; single crystal surfaces
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2001 journal article

Electronic transitions in doped and undoped copper germanate

CHEMISTRY OF MATERIALS, 13(3), 939–944.

By: G. Rudko, V. Long, J. Musfeldt, H. Koo*, M. Whangbo*, A. Revcolevschi, G. Dhalenne, D. Bernholdt*

Source: Web Of Science
Added: August 6, 2018

2001 journal article

Examination of the anisotropic spin exchange interactions of CuM2O6 (M = Sb, V, Nb) by spin dimer analysis

JOURNAL OF SOLID STATE CHEMISTRY, 156(1), 110–116.

By: H. Koo n & M. Whangbo n

Source: Web Of Science
Added: August 6, 2018

2001 journal article

Influence of the metal-metal sigma bonding on the structures and physical properties of the hexagonal perovskite-type sulfides Sr9/8TiS3,Sr8/7TiS3, and Sr-8/7[Ti6/7Fe1/7]S-3

JOURNAL OF SOLID STATE CHEMISTRY, 162(1), 103–112.

By: O. Gourdon*, E. Jeanneau*, M. Evain*, S. Jobic* & R. Brec*

Source: Web Of Science
Added: August 6, 2018

2001 journal article

Infrared and optical properties of beta '-(ET)(2)SF5CF2SO3: Evidence for a 45 K spin peierls transition

CHEMISTRY OF MATERIALS, 13(4), 1326–1333.

By: J. Pigos, B. Jones, Z. Zhu, J. Musfeldt, C. Homes*, H. Koo*, M. Whangbo*, J. Schlueter ...

Source: Web Of Science
Added: August 6, 2018

2001 journal article

Investigation of the stiffness change in, the indentation force and the hydrophobic recovery of plasma-oxidized polydimethylsiloxane surfaces by tapping mode atomic force microscopy

POLYMER, 42(8), 3627–3632.

By: G. Bar*, L. Delineau*, A. Hafele* & M. Whangbo n

author keywords: polydimethylsiloxane; tapping mode atomic force microscopy; X-ray photoelectron spectroscopy
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2001 journal article

On the origin of the root 7 x root 7 superstructure and the anomalous magnetic and transport properties of the layered compound Sr6V9S22O2

INORGANIC CHEMISTRY, 40(12), 2898–2904.

By: O. Gourdon*, M. Evain, S. Jobic, R. Brec, H. Koo*, M. Whangbo*, B. Corraze, O. Chauvet

UN Sustainable Development Goal Categories
11. Sustainable Cities and Communities (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2001 journal article

On the structural and electronic factors governing the magnetic properties of the hexagonal perovskite-type oxides A(x)BO(3) (A = Ca, Sr, Ba; B = Co, Ni)

JOURNAL OF SOLID STATE CHEMISTRY, 160(1), 239–246.

By: M. Whangbo n, H. Koo n, K. Lee n, O. Gourdon*, M. Evain*, S. Jobic*, R. Brec*

UN Sustainable Development Goal Categories
11. Sustainable Cities and Communities (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2001 article

Optical studies of the beta ''-(ET)(2)SF5RSO3 (R=CH2CF2, CHFCF2 and CHF) system: chemical tuning of the counterion

Olejniczak, I., Jones, B. R., Dong, J., Pigos, J. M., Zhu, Z., Garlach, A. D., … Gard, G. L. (2001, March 15). SYNTHETIC METALS, Vol. 120, pp. 785–786.

By: I. Olejniczak, B. Jones, J. Dong, J. Pigos, Z. Zhu, A. Garlach, J. Musfeldt, H. Koo ...

author keywords: reflection spectroscopy; organic conductors based on radical cation and/or anion salts
Source: Web Of Science
Added: August 6, 2018

2001 journal article

Spin dimer analysis for antiferromagnetic spin exchange interactions of magnetic solids with several unpaired electrons per spin site: Trends in the spin exchange parameters of the compounds consisting of MnF5 chains and CrX2 (X = O, S) layers

JOURNAL OF SOLID STATE CHEMISTRY, 156(2), 464–469.

By: H. Koo n, M. Whangbo n, S. Coste* & S. Jobic*

UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2001 journal article

Spin dimer analysis of the anisotropic spin exchange interactions in the distorted wolframite-type oxides CuWO4, CuMoO4-III, and Cu(Mo0.25W0.(75))O-4

INORGANIC CHEMISTRY, 40(9), 2161–2169.

By: H. Koo n & M. Whangbo n

TL;DR: This study reproduces the experimental finding that the magnetic unit cell is doubled along the a- axis in CuWO(4) and along the c-axis in CuMoO4-III and predicts that the Magnetic unit cell should be doubled alongThe a- and b-axes in Cu(Mo(0.25)W0.75)O4. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2001 journal article

Spin-Hamiltonian and density functional theory descriptions of spin exchange interactions

JOURNAL OF CHEMICAL PHYSICS, 114(7), 2887–2893.

By: D. Dai n & M. Whangbo n

UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2001 journal article

Structural and electronic features of BaIrO3 causing the simultaneous occurrence of weak ferromagnetism and charge density wave formation

SOLID STATE COMMUNICATIONS, 118(10), 491–495.

By: M. Whangbo n & H. Koo n

author keywords: metals; electron-electron interactions; electron-phonon interactions
Source: Web Of Science
Added: August 6, 2018

2001 journal article

Theoretical study of possible iridium ditelluride phases attainable under high pressure

Journal of Solid State Chemistry, 162(1), 63–68.

By: S. Jobic*, R. Brec*, A. Pasturel*, H. Koo n & M. Whangbo n

Source: NC State University Libraries
Added: August 6, 2018

2000 journal article

A unique distortion in K(1/3)Ba(2/3)AgTe(2): X-ray diffraction determination and electronic band structure analysis of its incommensurately modulated structure

INORGANIC CHEMISTRY, 39(7), 1398–1409.

By: O. Gourdon n, J. Hanko n, F. Boucher n, V. Petricek n, M. Whangbo n, M. Kanatzidis n, M. Evain n

TL;DR: First principles electronic band structure calculations were carried out for three model commensurate structures using the tight-binding linear-muffin-tin-orbital method (LMTO), and show that the distorted structures of V-pattern and W- pattern are more stable than the average structure and that the V- pattern distortion provides a slightly larger stabilization than does the W-pattern distortion. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2000 journal article

Analysis of nearest-neighbor spin exchange interactions by molecular orbital calculations: anisotropic spin exchange interactions in MV3O7 (M = Cd, Ca, Sr) and alpha '-NaV2O5

Solid State Communications, 114(1), 27–32.

By: M. Whangbo n, H. Koo n & K. Lee*

Source: NC State University Libraries
Added: August 6, 2018

2000 journal article

Analysis of the spin exchange interactions in the extended magnetic solids K2NiF4, K2CuF4, La2CuO4, Nd2CuO4, KNiF3, and KCuF3

JOURNAL OF SOLID STATE CHEMISTRY, 151(1), 96–101.

By: H. Koo n & M. Whangbo n

author keywords: spin exchange interactions; magnetically ordered materials; extended Huckel molecular orbital calculations
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2000 journal article

Analysis of the spin exchange interactions in the three phases of vanadium pyrophosphate, (VO)(2)P2O7, in terms of spin-orbital interaction energy

INORGANIC CHEMISTRY, 39(16), 3599–3604.

By: H. Koo n & M. Whangbo n

TL;DR: The spin exchange interactions in the ambient-pressure orthorhombic (APO), high-pressure Orthorhombs (HPO), and ambient- pressure monoclinic ( APM) phases of the vanadium pyrophosphate, (VO)2P2O7, were analyzed by calculating the spin-orbital interaction energies delta e-delta e0 of their spin dimers. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2000 journal article

Distribution of the Pb and Sb atoms in the (Pb, Sb)S layers of the Franckeite-type misfit compound [(Pb, Sb)S](2.28)NbS2 examined by scanning tunneling and atomic force microscopy

JOURNAL OF SOLID STATE CHEMISTRY, 149(2), 370–377.

By: H. Bengel*, S. Jobic*, Y. Moelo*, A. Lafond*, J. Rouxel*, D. Seo n, M. Whangbo n

Source: Web Of Science
Added: August 6, 2018

2000 journal article

Electronic band structure study of A(2)Mo(9)S(11) (A=K, Rb) and K1.8Mo9S11

JOURNAL OF SOLID STATE CHEMISTRY, 155(1), 124–128.

By: H. Koo n, M. Whangbo n, S. Picard*, S. Jobic*, M. Potel* & P. Gougeon*

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2000 journal article

Examination of butadiene/styrene-co-butadiene rubber blends by tapping mode atomic force microscopy. Importance of the indentation depth and reduced tip-sample energy dissipation in tapping mode atomic force microscopy study of elastomers

LANGMUIR, 16(13), 5702–5711.

By: G. Bar*, M. Ganter*, R. Brandsch*, L. Delineau* & M. Whangbo n

UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2000 personal communication

Examination of the relationship between phase shift and energy dissipation in tapping mode atomic force microscopy by frequency-sweep and force-probe measurements

Bar, G., Brandsch, R., Bruch, M., Delineau, L., & Whangbo, M. H. (2000, January 1).

By: G. Bar*, R. Brandsch*, M. Bruch*, L. Delineau* & M. Whangbo n

author keywords: energy dissipation; PDMS; phase imaging; phase shift; tapping mode atomic force microscopy
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2000 personal communication

Harmonic responses of a cantilever interacting with elastomers in tapping mode atomic force microscopy

Delineau, L., Brandsch, R., Bar, G., & Whangbo, M. H. (2000, March 1).

By: L. Delineau*, R. Brandsch*, G. Bar* & M. Whangbo n

author keywords: atomic force microscopy; energy dissipation; insulating surfaces; semi-empirical models and model calculations
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2000 journal article

Hysteresis in the distance-sweep curves of elastomers and its implications in tapping mode atomic force microscopy

SURFACE SCIENCE, 457(1-2), L404–L412.

By: G. Bar*, L. Delineau*, R. Brandsch*, M. Ganter* & M. Whangbo n

author keywords: atomic force microscopy
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2000 journal article

Investigation of the spin exchange interactions in the nanotube system Na2V3O7 by spin dimer analysis

SOLID STATE COMMUNICATIONS, 115(12), 675–678.

By: M. Whangbo n & H. Koo n

author keywords: nanostructures; crystal structure and symmetry; spin-orbit effects
Source: Web Of Science
Added: August 6, 2018

2000 journal article

Investigations of the Fermi surface of a new organic metal: (BEDT-TTF)(4)[Ni(dto)(2)]

EUROPHYSICS LETTERS, 51(1), 82–88.

By: M. Schiller*, W. Schmidt*, E. Balthes*, D. Schweitzer*, H. Koo n, M. Whangbo n, I. Heinen*, T. Klausa*, P. Kircher*, W. Strunz*

UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2000 journal article

Ligand influences on the structures of molybdenum oxide networks

Inorganic Chemistry, 39(19), 4311–4317.

By: P. Hagrman, R. Laduca, H. Koo, R. Rarig, R. Haushalter, M. Whangbo, J. Zubieta

Source: NC State University Libraries
Added: August 6, 2018

2000 journal article

Long-range magnetic order in Mn[N(CN)(2)](2)(pyz) {pyz =pyrazine} susceptibility, magnetization, specific heat, and neutron diffraction measurements and electronic structure calculations

Journal of the American Chemical Society, 123(1), 162–172.

By: J. Manson n, Q. Huang n, J. Lynn n, H. Koo n, M. Whangbo n, R. Bateman n, T. Otsuka n, N. Wada n, D. Argyriou n, J. Miller n

TL;DR: Using dc magnetization, ac susceptibility, specific heat, and neutron diffraction, this work has studied the magnetic properties of Mn[N(CN)2]2(pyz) (pyz = pyrazine) in detail and indicates that the exchange interaction is much stronger along the Mn-pyz-Mn chain axis than along themn-NCNCN-Mm axes, giving rise to a predominantly one-dimensional magnetic system. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: NC State University Libraries
Added: August 6, 2018

2000 journal article

Molecular self-assembly on surfaces of organic conducting salts: Epitaxial monolayer films of naphthalene on the (001) surface of (TMTSF)(2)PF6

JOURNAL OF PHYSICAL CHEMISTRY B, 104(31), 7394–7402.

By: P. Bartlett n, J. Essex n, H. Koo n, I. Nandhakumar n, N. Robertson n & M. Whangbo n

Source: Web Of Science
Added: August 6, 2018

2000 journal article

Optical spectra and electronic band structure calculations of beta ''-(ET)(2)SF5RSO3 (R = CH2CF2, CHFCF2, and CHF): Changing electronic properties by chemical tuning of the counterion

CHEMISTRY OF MATERIALS, 12(8), 2490–2495.

By: B. Jones, I. Olejniczak, J. Dong, J. Pigos, Z. Zhu, A. Garlach, J. Musfeldt, H. Koo* ...

Source: Web Of Science
Added: August 6, 2018

2000 journal article

Origin of the spin gap in sodium vanadium bronze Na9V14O35

SOLID STATE COMMUNICATIONS, 115(3), 115–119.

By: M. Whangbo n & H. Koo n

author keywords: magnetically ordered materials; exchange and superexchange; phase transitions
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2000 journal article

Perspective on "An extended Huckel theory. I. Hydrocarbons" - Hoffmann R (1963) J Chem Phys 39 : 1397-1412

THEORETICAL CHEMISTRY ACCOUNTS, 103(3-4), 252–256.

By: M. Whangbo n

author keywords: extended Huckel theory, advantages and; disadvantages; structure-property correlation; extended Huckel theory, history and impact Roald Hoffmann
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2000 journal article

Polarized optical reflectance and electronic structure of the charge-density-wave materials eta- and gamma-Mo4O11

Physical Review. B, Condensed Matter and Materials Physics, 61(15), 10057–10065.

By: Z. Zhu*, S. Chowdhary*, V. Long*, J. Musfeldt*, H. Koo n, M. Whangbo n, X. Wei*, H. Negishi* ...

Source: NC State University Libraries
Added: August 6, 2018

2000 journal article

Spin dimer analysis of the spin exchange interactions of the vanadium oxides AV(4)O(9) (A = Ca, Sr, Cs-2, NH2(CH2)(4)NH2)

JOURNAL OF SOLID STATE CHEMISTRY, 153(2), 263–269.

By: H. Koo n & M. Whangbo n

Source: Web Of Science
Added: August 6, 2018

2000 journal article

Study of the 18-electron band gap and ferromagnetism in semi- Heusler compounds by nea-spin-polarized electronic band structure calculations

Journal of Molecular Structure [Including Theochem], 527(2000 Aug. 4), 113–119.

By: D. Jung, H. Koo & M. Whangbo

Source: NC State University Libraries
Added: August 6, 2018

2000 journal article

Synthesis and crystal structure determination of a new pressure-induced iridium ditelluride phase, m-IrTe2, and comparison of the crystal structures and relative stabilities of various IrTe2 polymorphs

INORGANIC CHEMISTRY, 39(19), 4370–4373.

By: S. Jobic*, R. Brec*, C. Chateau*, J. Haines*, J. Leger*, H. Koo*, M. Whangbo*

TL;DR: The new monoclinic IrTe2 phase m-IrTe2 was synthesized under pressure, and its structure was determined by X-ray powder diffraction, and is expected to be nearly as stable as that of the CdI2-type Ir Te2. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

1999 journal article

Analysis of bonding and d-electron count in the transition-metal carbides and transition-metal-silicide carbides with discrete linear M-C-M units (M = Cr, Fe, Re) by electronic structure calculations

INORGANIC CHEMISTRY, 38(9), 2204–2210.

By: H. Koo n & M. Whangbo n

TL;DR: It is shown that the M-C bonds of the M -C-M units exist as double bonds and there is significant bonding in the interlayer Si. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

1999 journal article

Analysis of polarized optical excitations by electronic band structure calculations: organic superconductor beta ''-(BEDT-TTF)(2)SF5CH2CF2SO3

SOLID STATE COMMUNICATIONS, 112(7), 403–407.

By: H. Koo n, M. Whangbo n, J. Dong*, I. Olejniczak*, J. Musfeldt*, J. Schlueter*, U. Geiser*

author keywords: organic crystals; electronic band structure; optimal properties; light absorption and reflection
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

1999 journal article

Analysis of the spin-spin interactions in layered oxides alpha '-NaV2O5, CaV2O5 and MgV2O5 and the spin-Peierls distortion in alpha '-NaV2O5 by molecular orbital, Madelung energy and bond valence sum calculations

SOLID STATE COMMUNICATIONS, 111(7), 353–360.

By: H. Koo n & M. Whangbo n

author keywords: magnetically ordered materials; semiconductors; electronic states (localized); exchange and superexchange; phase transitions
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

1999 journal article

Calculations and analysis of the electronic structures of transition-metal phosphosilicides Cu4SiP8, IrSi3P3, CoSi3P3, and FeSi4P4

JOURNAL OF SOLID STATE CHEMISTRY, 147(1), 11–18.

By: K. Lee*, H. Koo n, J. Ren n & M. Whangbo n

UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

1999 journal article

Characterization of the RuS2(100) surface by scanning tunneling microscopy, atomic force microscopy, and near-edge X-ray absorption fine structure measurements and electronic band structure calculations

JOURNAL OF PHYSICAL CHEMISTRY B, 103(22), 4649–4655.

By: S. Kelty*, J. Li*, J. Chen*, R. Chianelli*, J. Ren n & M. Whangbo n

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

1999 journal article

Correlation between frequency-sweep hysteresis and phase imaging instability in tapping mode atomic force microscopy

SURFACE SCIENCE, 436(1-3), L715–L723.

By: G. Bar, R. Brandsch & M. Whangbo n

author keywords: frequency-sweep hysteresis; phase imaging instability; surface analysis; tapping mode atomic force microscopy; (TMAFM)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

1999 journal article

Determination of the Se atom distribution in the layered compound Nb-3(Se1-xIx)I-7 by scanning tunneling microscopy

European Journal of Inorganic Chemistry, (5), 785–787.

By: P. Schmidt*, G. Thiele & M. Whangbo*

Source: NC State University Libraries
Added: August 6, 2018

1999 journal article

Distribution of the Se atoms in the layered compound Nb-3(Se1-xIx)I-7 studied by scanning tunneling microscopy and electronic structure calculations

JOURNAL OF PHYSICAL CHEMISTRY B, 103(18), 3626–3633.

By: P. Schmidt n, G. Thiele n, H. Cantow n, J. Ren n & M. Whangbo n

Source: Web Of Science
Added: August 6, 2018

1999 personal communication

Effect of tip sharpness on the relative contributions of attractive and repulsive forces in the phase imaging of tapping mode atomic force microscopy

Bar, G., Brandsch, R., & Whangbo, M. H. (1999, February 22).

By: G. Bar, R. Brandsch & M. Whangbo n

author keywords: phase imaging; tip sharpness effect; trapping mode atomic force microscopy
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

1999 journal article

Electronic structure of the organic conductors kappa-ET2Cu(SCN)(2) and kappa-ET2Cu[N(CN)(2)]Br studied using soft X-ray absorption and soft X-ray emission

JOURNAL OF SOLID STATE CHEMISTRY, 143(1), 1–8.

By: C. Stagarescu, L. Duda, K. Smith, D. Seo n, M. Whangbo n, D. Jerome*, R. Haddon*, J. Brooks*, J. Guo*, J. Nordgren*

Source: Web Of Science
Added: August 6, 2018

1999 journal article

Flexibility of the MPS4- chains of the KMPS4 (M = Ni, Pd) compounds studied by molecular orbital calculations and atomic force microscopy measurements

JOURNAL OF SOLID STATE CHEMISTRY, 147(1), 235–239.

By: M. Whangbo n, H. Bengel*, S. Jobic* & R. Brec*

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

1999 article

High field optical response of eta-Mo4O11

Zhu, Z., Long, V. C., Musfeldt, J. L., Wei, X., Sarrao, J., Fisk, Z., … Whangbo, M. H. (1999, December). JOURNAL DE PHYSIQUE IV, Vol. 9, pp. 251–253.

By: Z. Zhu*, V. Long*, J. Musfeldt*, X. Wei*, J. Sarrao*, Z. Fisk*, H. Negishi*, M. Inoue*, H. Koo n, M. Whangbo n

Source: Web Of Science
Added: August 6, 2018

1999 journal article

Importance of the indentation depth in tapping-mode atomic force microscopy study of compliant materials

APPLIED PHYSICS LETTERS, 75(26), 4198–4200.

By: G. Bar*, L. Delineau*, R. Brandsch*, M. Bruch* & M. Whangbo n

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

1999 journal article

In-plane ESR microwave conductivity measurements and electronic band structure studies of the organic superconductor beta ''-(BEDT-TTF)(2)SF5CH2CF2SO3

JOURNAL OF PHYSICAL CHEMISTRY B, 103(26), 5493–5499.

By: H. Wang, M. VanZile*, J. Schlueter*, U. Geiser*, A. Kini*, P. Sche*, H. Koo n, M. Whangbo n ...

Source: Web Of Science
Added: August 6, 2018

1999 article

Molecular components of the bulk electronic structure of organic conductors: A soft X-ray absorption and soft X-ray emission spectroscopy approach

Stagarescu, C. B., Duda, L. C., Smith, K. E., Seo, D. K., Whangbo, M. H., Jerome, D., … Nordgren, J. (1999, June). JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, Vol. 101, pp. 539–544.

By: C. Stagarescu, L. Duda, K. Smith, D. Seo n, M. Whangbo n, D. Jerome*, R. Haddon*, J. Brooks*, J. Guo*, J. Nordgren*

author keywords: soft X-ray emission spectroscopy; organic conductors; density of states
Source: Web Of Science
Added: August 6, 2018

1999 journal article

Polarized optical reflectance and electronic band structure of alpha '-NaV2O5

PHYSICAL REVIEW B, 60(23), 15721–15727.

By: V. Long*, Z. Zhu*, J. Musfeldt*, X. Wei*, H. Koo*, M. Whangbo*, J. Jegoudez*, A. Revcolevschi*

Source: Web Of Science
Added: August 6, 2018

1999 journal article

Spin-spin interactions in the oxides A(3)M ' MO6 (M = Rh, Ir; A = Ca, Sr; M ' = alkaline earth, Zn, Cd, Na) of the K4CdCl6 structure type examined by electronic structure calculations

INORGANIC CHEMISTRY, 38(9), 2199–2203.

By: K. Lee*, H. Koo n & M. Whangbo n

TL;DR: The calculations show that the spin-spin interactions in these oxides are three-dimensional, and the superexchange interactions occur mainly through the short intrachain and interchain M-O. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

1998 journal article

Characterization of the Fermi surface of the organic superconductor beta ''-(ET)(2)SF5CH2CF2SO3 by measurements of Shubnikov-de Haas and angle-dependent magnetoresistance oscillations and by electronic band-structure calculations

EUROPEAN PHYSICAL JOURNAL B, 1(3), 295–300.

By: D. Beckmann*, S. Wanka*, J. Wosnitza*, J. Schlueter*, J. Williams*, P. Nixon*, R. Winter*, G. Gard*, J. Ren n, M. Whangbo n

Source: Web Of Science
Added: August 6, 2018

1998 journal article

Characterization of the morphologies and nanostructures of blends of poly(styrene) block-poly(ethene-co-but-1-ene)-block-poly(styrene) with isotactic and atactic polypropylenes by tapping-mode atomic force microscopy

LANGMUIR, 14(5), 1219–1226.

By: G. Bar, Y. Thomann & M. Whangbo n

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

1998 journal article

Comparative study of the structural, electronic, and magnetic properties of the layered ternary vanadium oxides CaV4O9, Cs2V4O9, and [H2N(CH2)(4)NH2]V4O9

CHEMISTRY OF MATERIALS, 10(4), 1059–1064.

By: Y. Zhang*, C. Warren, R. Haushalter*, A. Clearfield*, D. Seo* & M. Whangbo*

Source: Web Of Science
Added: August 6, 2018

1998 journal article

Description of ligand field splitting in terms of density functional theory: Calculations of the split levels of the F-2(5/2) and F-2(7/2) subterms in CeO and CeF under the weak field coupling scheme

JOURNAL OF CHEMICAL PHYSICS, 108(9), 3479–3488.

By: D. Dai*, L. Li*, J. Ren n & M. Whangbo n

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

1998 journal article

Description of ligand field splitting in terms of density functional theory: Split levels of the lowest-lying subterms of the 4f(n-1)6s(2) (n=3-14) configurations in lanthanide monofluorides LnF (Ln=Pr-Yb)

JOURNAL OF CHEMICAL PHYSICS, 108(20), 8479–8484.

By: J. Ren n, M. Whangbo n, D. Dai* & L. Li*

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

1998 personal communication

Description of phase imaging in tapping mode atomic force microscopy by harmonic approximation

Whangbo, M. H., Bar, G., & Brandsch, R. (1998, August 11).

By: M. Whangbo n, G. Bar & R. Brandsch

author keywords: atomic force microscopy; effective quality factor; energy dissipation; harmonic approximation; phase imaging; tapping mode atomic force microscopy
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

1998 personal communication

Description of the frequency dependence of the amplitude and phase angle of a silicon cantilever tapping on a silicon substrate by the harmonic approximation

Bar, G., Brandsch, R., & Whangbo, M. H. (1998, August 11).

By: G. Bar, R. Brandsch & M. Whangbo n

author keywords: amplitude curves; frequency sweep; harmonic approximation; hysteresis; phase curves; tapping mode atomic force microscopy
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

1998 personal communication

Effect of viscoelastic properties of polymers on the phase shift in tapping mode atomic force microscopy

Bar, G., Brandsch, R., & Whangbo, M. H. (1998, December 22).

By: G. Bar, R. Brandsch & M. Whangbo n

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

1998 journal article

Electron counting scheme relevant for late transition metal compounds with weakly electronegative ligands. Electronic band structure study of phosphosilicides PtSi3P2 and NiSi2P3

INORGANIC CHEMISTRY, 38(2), 340–345.

By: K. Lee*, H. Koo n, D. Dai n, J. Ren n & M. Whangbo n

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

1998 article

Investigation of morphologies and nanostructures of polymer blends by tapping mode phase imaging

Thomann, Y., Cantow, H. J., Bar, G., & Whangbo, M. H. (1998, March). APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING, Vol. 66, pp. S1233–S1236.

By: Y. Thomann*, H. Cantow*, G. Bar* & M. Whangbo n

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

1998 journal article

On the origin of the anomalous electrical resistivity of LnMo(5)O(8) (Ln = trivalent rare earth)

SOLID STATE COMMUNICATIONS, 108(8), 539–544.

By: H. Koo n, M. Whangbo n, W. McCarroll*, M. Greenblatt*, R. Gautier*, J. Halet*, P. Gougeon*

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

1998 journal article

Pressure-induced changes in the structure and band gap of CsGeX3 (X = Cl, Br) studied by electronic band structure calculations

INORGANIC CHEMISTRY, 37(3), 407–410.

By: D. Seo*, N. Gupta n, M. Whangbo n, H. Hillebrecht & G. Thiele

TL;DR: Calculated tight-binding electronic band structures of cesium trihalometalates CsGeX(3) were calculated to examine the pressure-dependence of their crystal structures and band gaps as well as their primitive cubic to rhombohedral structural phase transitions and it is shown that an increase in the applied pressure decreases the band gap and the stability of Cs gex(3). (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

1998 article

Qualitative relationships describing height and phase images of tapping mode atomic force microscopy. An application to micro-contact-printed patterned self-assembled monolayers

Whangbo, M. H., Bar, G., & Brandsch, R. (1998, March). APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING, Vol. 66, pp. S1267–S1270.

By: M. Whangbo n, G. Bar & R. Brandsch

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

1998 journal article

Scanning tunneling and atomic force microscopy study of the misfit layer compounds (LaS)(1.14)(NbS2)(n) (n=1,2) and [(Pb,Sb)S)](1.14)NbS2

SURFACE SCIENCE, 400(1-3), 266–276.

By: H. Bengel*, S. Jobic*, C. Deudon*, J. Rouxel*, D. Seo n & M. Whangbo n

author keywords: atomic force microscopy; image simulations; misfit layered compounds; scanning tunneling microscopy; sulphides; surface defects; surface structure, morphology, roughness and topography
Source: Web Of Science
Added: August 6, 2018

1998 journal article

Similarities and differences in the structural and electronic properties of ruthenium and iridium pyrochlores A(2)M(2)O(7-y) (M = Ru, Ir)

JOURNAL OF SOLID STATE CHEMISTRY, 136(2), 269–273.

By: H. Koo n, M. Whangbo n & B. Kennedy*

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

1998 article

Simulation of long-range contrast modulation in scanning tunneling microscope image of perylene-3,4,9,10-tetracarboxylic-dianhydride monolayer on graphite

Ogawa, T., Irie, S., Isoda, S., Kobayashi, T., & Whangbo, M. H. (1998, June). JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS SHORT NOTES & REVIEW PAPERS, Vol. 37, pp. 3864–3866.

By: T. Ogawa*, S. Irie*, S. Isoda*, T. Kobayashi* & M. Whangbo n

author keywords: scanning tunneling microscopy; extended Huckel tight binding method; organic monolayer; point-on-line coincidence; contrast modulation
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

1998 journal article

Simulation of the scanning tunneling and atomic force microscopy images of a xanthine monolayer on graphite

SURFACE SCIENCE, 401(3), 476–481.

By: D. Jung*, D. Seo n, J. Ren n & M. Whangbo n

author keywords: atomic force microscopy; density plot calculations; image simulation; scanning tunneling microscopy; xanthine monolayer
Source: Web Of Science
Added: August 6, 2018

1998 journal article

Single-crystal X-ray diffraction and electronic band structure studies of PdTeI

JOURNAL OF SOLID STATE CHEMISTRY, 137(2), 206–210.

By: D. Seo n, M. Whangbo n, K. Neininger* & G. Thiele*

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

1998 journal article

Synthesis, characterization, and electronic structure analysis of (Et4N)(4)KAuAs4Te8 and electron counting for the zintl anion containing a square-planar AuTe4 unit

INORGANIC CHEMISTRY, 37(23), 6096–6099.

By: C. Wang n, R. Haushalter n & M. Whangbo n

TL;DR: Molecular orbital calculations show that the Au cations of the square-planar AuTe4 units in (Et4N)4KAuAs4Te8 and other compounds are best described to be monovalent Au+. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

1998 journal article

Unusual physical properties of KCu7-xS4 at diffusive one-dimensional ordering transitions

PHYSICAL REVIEW B, 57(6), 3315–3325.

By: Y. Kuo*, M. Skove*, D. Verebelyi*, H. Li*, R. Mackay*, S. Hwu*, M. Whangbo n, J. Brill*

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

1997 article

Anisotropic thermopower in the charge density wave quasi two-dimensional compounds (PO2)(4)(WO3)(2m)(m=4, 6)

Hess, C., Schlenker, C., Dumas, J., Greenblatt, M., Canadell, E., & Whangbo, M. H. (1997, February 28). SYNTHETIC METALS, Vol. 86, pp. 2189–2190.

By: C. Hess*, C. Schlenker*, J. Dumas*, M. Greenblatt*, E. Canadell* & M. Whangbo n

author keywords: transport measurements; Hall effect; thermopower; other phase transitions; charge density waves; oxide bronzes
Source: Web Of Science
Added: August 6, 2018

1997 journal article

Direct observation of the electron-donating property of the 5,6-dihydro-1,4-dithiin-2,3-dithiolate (dddt) ligands in square planar M(dddt)(2) complexes (M=Ni, Pd, Pt, and Au)

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 119(32), 7601–7602.

By: H. Wang, S. Fox*, E. Yagubskii*, L. Kushch*, A. Kotov* & M. Whangbo n

Source: Web Of Science
Added: August 6, 2018

1997 journal article

Electronic band structure study of colossal magnetoresistance in Tl2Mn2O7

SOLID STATE COMMUNICATIONS, 101(6), 417–421.

By: D. Seo n, M. Whangbo n & M. Subramanian*

Source: Web Of Science
Added: August 6, 2018

1997 journal article

Electronic band structure study of the anomalous electrical and superconducting properties of hexagonal alkali tungsten bronzes A(x)WO(3) (A=K, Rb, Cs)

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 119(17), 4043–4049.

By: K. Lee n, D. Seo n & M. Whangbo n

UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (Web of Science; OpenAlex)
Source: Web Of Science
Added: August 6, 2018

1997 journal article

Electronic band structure study of the transport properties of the intermetallic compounds ZrRuP and ZrRuSi

INORGANIC CHEMISTRY, 36(26), 6058–6063.

By: D. Seo n, J. Ren n, M. Whangbo n & E. Canadell*

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

1997 article

Electronic properties of La3Ni2O7 and Ln(4)Ni(3)O(10), Ln=La, Pr and Nd

Greenblatt, M., Zhang, Z., & Whangbo, M. H. (1997, February 15). SYNTHETIC METALS, Vol. 85, pp. 1451–1452.

By: M. Greenblatt*, Z. Zhang* & M. Whangbo n

author keywords: magnetic and transport measurements; low-dimensional properties; metal-insulator transition; charge density waves
Source: Web Of Science
Added: August 6, 2018

1997 journal article

Factors affecting the height and phase images in tapping mode atomic force microscopy. Study of phase-separated polymer blends of poly(ethene-co-styrene) and poly(2,6-dimethyl-1,4-phenylene oxide)

LANGMUIR, 13(14), 3807–3812.

By: G. Bar, Y. Thomann, R. Brandsch, H. Cantow & M. Whangbo n

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

1997 journal article

New layered materials in the K-In-Ge-As system: K8In8Ge5As17 and K5In5Ge5As14

JOURNAL OF SOLID STATE CHEMISTRY, 130(2), 234–249.

By: J. ShreeveKeyer, R. Haushalter*, Y. Lee*, S. Li*, C. OConnor*, D. Seo n, M. Whangbo n

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

1997 personal communication

On the factors affecting the contrast of height and phase images in tapping mode atomic force microscopy

Brandsch, R., Bar, G., & Whangbo, M. H. (1997, November 26).

By: R. Brandsch, G. Bar & M. Whangbo n

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

1997 journal article

One-dimensional semiconducting chains of the quaternary zintl anion in (Et4N)(4)[Au(Ag1-xAux)(2)Sn2Te9]

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 36(10), 1087–1090.

By: S. Dhingra*, D. Seo n, G. Kowach*, R. Kremer*, J. ShreeveKeyer*, R. Haushalter*, M. Whangbo n

author keywords: semiconductors; solid-state chemistry; structure elucidation; tellurium; Zintl anions
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

1997 journal article

Square planar to rectangular distortion in transition-metal compounds of edge-sharing square planar units MX(4)

JOURNAL OF SOLID STATE CHEMISTRY, 128(2), 181–184.

By: N. Gupta n, D. Seo n, M. Whangbo n, S. Jobic*, J. Rouxel* & R. Brec*

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

1997 personal communication

Structural and electronic factors governing the metallic and nonmetallic properties of the pyrochlores A(2)Ru(2)O(7-y)

Lee, K. S., Seo, D. K., & Whangbo, M. H. (1997, July).

By: K. Lee*, D. Seo n & M. Whangbo n

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

1997 journal article

Structural and scanning microscopy studies of layered compounds MCl(3) (M=Mo, Ru, Cr) and MOCl(2) (M=V, Nb, Mo, Ru, Os)

JOURNAL OF ALLOYS AND COMPOUNDS, 246(1-2), 70–79.

By: H. Hillebrecht*, P. Schmidt*, H. Rotter*, G. Thiele*, P. Zonnchen*, H. Bengel*, H. Cantow*, S. Magonov*, M. Whangbo n

author keywords: scanning microscopy; crystal structure; layered compounds; disorder; trichloride structures; oxide dichloride structures
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

1997 journal article

Study of scanning tunneling microscopy images and probable relaxations of the SrTiO3(100) surface by electronic structure calculations

SURFACE SCIENCE, 370(2-3), 245–251.

By: D. Seo n, K. Perdue n, J. Ren n & M. Whangbo n

author keywords: scanning tunneling microscopy; semi-empirical models and model calculations; single crystal surfaces; surface electronic phenomena; surface relaxation and reconstruction; titanium oxide
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

1997 journal article

Study of the origin of superstructure patterns in the scanning tunneling images of perylene-3,4,9,10-tetracarboxylic-dianhydride on graphite by electronic structure calculations

SURFACE SCIENCE, 370(2-3), 252–258.

By: D. Seo n, J. Ren n & M. Whangbo n

author keywords: aromatics; graphite; thin film structures; scanning tunneling microscopy; self-assembly; semi-empirical models and model calculations; surface electronic phenomena
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

1997 journal article

Symmetric stretching vibrations of two-coordinate oxygen bridges as a cause for negative thermal expansion in zrv(x)p(2)-(x)o(7) and aw(2)o(8) (a=zr, hf) at high temperature

Journal of Solid State Chemistry, 129(1), 160–163.

By: D. Seo n & M. Whangbo n

Source: NC State University Libraries
Added: August 6, 2018

1997 journal article

Tapping-mode atomic force microscopy study of the near-surface composition of a styrene-butadiene-styrene triblock copolymer film

SURFACE SCIENCE, 389(1-3), 201–211.

By: S. Magonov, J. Cleveland, V. Elings, D. Denley* & M. Whangbo n

author keywords: atomic force microscopy; polymer surface characterization; styrene-butadiene-styrene; tapping mode operation; triblock copolymer
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

1997 journal article

Vacancy ordering as the cause for the electrical resistivity anomalies and superlattice modulations in ACu(7-x)S(4) (A = Tl, K, Rb)

JOURNAL OF SOLID STATE CHEMISTRY, 134(1), 5–9.

By: K. Lee*, D. Seo n, M. Whangbo n, H. Li*, R. Mackay* & S. Hwu*

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

1991 review

CONCEPTUAL ASPECTS OF STRUCTURE PROPERTY CORRELATIONS AND ELECTRONIC INSTABILITIES, WITH APPLICATIONS TO LOW-DIMENSIONAL TRANSITION-METAL OXIDES

[Review of ]. CHEMICAL REVIEWS, 91(5), 965–1034.

By: E. Canadell & M. Whangbo*

Source: Web Of Science
Added: August 6, 2018

1991 review

ORGANIC SUPERCONDUCTORS - NEW BENCHMARKS

[Review of ]. SCIENCE, 252(5012), 1501–1508.

By: J. Williams*, A. Schultz*, U. Geiser*, K. Carlson*, A. Kini*, H. Wang*, W. Kwok*, M. Whangbo n, J. Schirber*

TL;DR: The largest number of organic superconductors, including those with the highest Tc values, are charge-transfer salts derived from the electron donor molecule BEDT-TTF or ET [bis(ethylenedithio)-tetrathiafulvalene]. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

1990 article

A NEW AMBIENT-PRESSURE ORGANIC SUPERCONDUCTOR, KAPPA-(ET)2CU[N(CN)2]BR, WITH THE HIGHEST TRANSITION-TEMPERATURE YET OBSERVED (INDUCTIVE ONSET TC = 11.6 K, RESISTIVE ONSET = 12.5 K)

KINI, A. M., GEISER, U., WANG, H. H., CARLSON, K. D., WILLIAMS, J. M., KWOK, W. K., … WHANGBO, M. H. (1990, July 11). INORGANIC CHEMISTRY, Vol. 29, pp. 2555–2557.

By: A. Kini*, U. Geiser*, H. Wang, K. Carlson*, J. Williams*, W. Kwok*, K. Vandervoort*, J. Thompson* ...

Source: Web Of Science
Added: August 6, 2018

1990 article

FROM SEMICONDUCTOR SEMICONDUCTOR TRANSITION (42K) TO THE HIGHEST-12.5 K ORGANIC SUPERCONDUCTOR, KAPPA-(ET)2CU[N(CN)2]CL

WILLIAMS, J. M., KINI, A. M., WANG, H. H., CARLSON, K. D., GEISER, U., MONTGOMERY, L. K., … WHANGBO, M. H. (1990, September 5). INORGANIC CHEMISTRY, Vol. 29, pp. 3272–3274.

By: J. Williams*, A. Kini*, H. Wang, K. Carlson*, U. Geiser*, L. Montgomery*, G. Pyrka*, D. Watkins* ...

Source: Web Of Science
Added: August 6, 2018

1987 review

RATIONAL DESIGN OF SYNTHETIC METAL SUPERCONDUCTORS

[Review of ]. PROGRESS IN INORGANIC CHEMISTRY, 35, 51–218.

By: J. Williams*, H. Wang*, T. Emge*, U. Geiser*, M. Beno*, P. Leung*, K. Carlson*, R. Thorn*, A. Schultz*, M. Whangbo n

Source: Web Of Science
Added: August 6, 2018

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