Myung H. Whangbo

Works (492)

Updated: April 8th, 2024 08:24

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

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).

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.

By: B. Almoussawi*, W. Yao*, S. Guo*, M. Whangbo n, V. Dupray, S. Clevers, S. Deng n, H. Kabbour*

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.

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).

By: Y. Luo*, X. Xu*, Y. Xia*, S. Pang*, F. Xu*, M. Whangbo n, L. Sun*, C. Chen*

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.

By: J. Etourneau*, C. Delmas*, S. Jobic* & M. Whangbo n

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.

By: H. Wang*, N. Mao*, C. Niu*, S. Shen*, M. Whangbo n, B. Huang*, Y. Dai*

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).

By: J. Li*, J. Ni*, X. Li*, H. Koo*, M. Whangbo n, J. Feng*, H. Xiang*

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.

By: K. Yang*, W. Hu*, H. Wu*, M. Whangbo n, P. Radaelli* & A. Stroppa*

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).

By: T. Vasilchikova*, V. Nalbandyan*, I. Shukaev*, H. Koo*, M. Whangbo n, A. Lozitskiy*, A. Bogaychuk*, V. Kuzmin* ...

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.

By: M. Sorolla*, X. Wang*, H. Koo*, M. Whangbo n & A. Jacobson*

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.

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.

By: H. Li*, C. Jin*, Z. Wang*, Y. Liu*, P. Wang*, Z. Zheng*, M. Whangbo n, L. Kou* ...

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.

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.

By: Z. Guan*, Y. Wu*, P. Wang*, Q. Zhang*, Z. Wang*, Z. Zheng*, Y. Liu*, Y. Dai*, M. Whangbo n, B. Huang*

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.

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

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

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

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.

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

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

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

By: X. Liang*, P. Wang*, M. Li*, Q. Zhang*, Z. Wang*, Y. Dai*, X. Zhang*, Y. Liu*, M. Whangbo n, B. Huang*

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

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.

By: X. Zhu, P. Wang*, Z. Wang*, Y. Liu*, Z. Zheng*, Q. Zhang*, X. Zhang*, Y. Dai*, M. Whangbo n, B. Huang*

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

UN Sustainable Development Goal Categories
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

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

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.

By: Y. Wu*, P. Wang*, Z. Guan*, J. Liu*, Z. Wang*, Z. Zheng*, S. Jin*, Y. Dai*, M. Whangbo n, B. Huang*

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

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

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

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.

By: M. Lu*, O. Mentre*, E. Gordon n, M. Whangbo n, A. Wattiaux*, M. Duttine*, N. Tiercelin*, H. Kabbour*

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

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

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

PHYSICAL REVIEW B, 96(10).

By: A. Clune*, K. Hughey*, C. Lee n, N. Abhyankar*, X. Ding*, N. Dalal*, M. Whangbo n, J. Singleton*, J. Musfeldt*

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
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (Web of Science; OpenAlex)
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.

By: X. Xu*, B. Mace*, E. Enriquez*, S. Bao*, Z. Harrell*, C. Chen*, M. Whangbo n

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.

By: A. Golubev*, R. Dinnebier*, A. Schulz*, R. Kremer*, H. Langbein*, A. Senyshyn*, J. Law*, T. Hansen*, H. Koo*, M. Whangbo n

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.

By: V. Kovrugin*, E. Gordon n, E. Kasapbasi*, M. Whangbo n, M. Colmont*, O. Siidra*, S. Colis*, S. Krivovichev*, O. Mentre*

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.

By: C. Lee n, J. Hong*, W. Son*, E. Kan*, J. Shim* & M. Whangbo n

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* & 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.

By: . Kenneth R. O'Neal, B. Holinsworth*, Z. Chen*, P. Peterson*, K. Carreiro*, C. Lee n, J. Manson*, M. Whangbo n ...

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.

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.

By: E. Enriquez*, X. Xu*, S. Bao*, Z. Harrell*, C. Chen*, S. Choi*, A. Jun*, G. Kim*, M. Whangbo n

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.

By: W. Wei*, Y. Dai*, B. Huang*, X. Li*, F. Naegele, H. Over*, M. Whangbo n, T. Jacob*

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

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

2015 journal article

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

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

By: V. Nalbandyan*, E. Zvereva*, A. Nikulin*, I. Shukaev*, M. Whangbo n, H. Koo*, M. Abdel-Hafiez*, X. Chen* ...

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

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

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.

By: X. Ma*, Y. Dai*, L. Yu n, Z. Lou*, B. Huang* & M. Whangbo

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
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

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

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

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

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

INORGANIC CHEMISTRY, 52(2), 753–760.

By: G. Nenert*, H. Koo, C. Colin*, E. Bauer*, C. Bellitto*, C. Ritter*, G. Righini*, M. Whangbo*

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

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

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

2013 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

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.

By: V. Nalbandyan*, E. Zvereva*, G. Yalovega*, I. Shukaev*, A. Ryzhakova*, A. Guda*, A. Stroppa*, S. Picozzi*, A. Vasiliev*, M. Whangbo n

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

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

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

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*

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).

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

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

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

2012 journal article

Strong Dzyaloshinskii-Moriya Interaction and Origin of Ferroelectricity in Cu2OSeO3

PHYSICAL REVIEW LETTERS, 109(10).

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

[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.