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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.
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.
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.
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.
2023 journal article
Cation exchange route to a Eu(II)-containing tantalum oxide
JOURNAL OF SOLID STATE CHEMISTRY, 328.
2023 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.
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).
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.
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).
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).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).
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.
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).
2022 review
Material research from the viewpoint of functional motifs
[Review of ]. NATIONAL SCIENCE REVIEW, 9(7).
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.
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.
2022 journal article
Negative Second Harmonic Response of Sn(4+)in the Fresnoite Oxysulfide Ba2SnSSi2O7
CHEMISTRY OF MATERIALS, 34(10), 4375–4383.
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.
2022 journal article
Orthogonal antiferromagnetism to canted ferromagnetism in CaCo3Ti4O12 quadruple perovskite driven by underlying kagome lattices
COMMUNICATIONS MATERIALS, 3(1).
2022 journal article
Prediction of Large Second Harmonic Generation in the Metal-Oxide/Organic Hybrid Compound CuMoO3(p2c)
SYMMETRY-BASEL, 14(4).
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.
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.
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.
2021 journal article
Anomaly Negative Resistance Phenomena in Highly Epitaxial PrBa0.7Ca0.3Co2O5+delta Thin Films Induced from Superfast Redox Reactions
CATALYSTS, 11(12).
2021 journal article
Atomically dispersed cobalt-based species anchored on polythiophene as an efficient electrocatalyst for oxygen evolution reaction
APPLIED SURFACE SCIENCE, 545.
2021 journal article
Difference in magnetic anisotropy of the ferromagnetic monolayers VI3 and CrI3
PHYSICAL REVIEW B, 103(1).
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.
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.
2021 review
Spin Exchanges between Transition Metal Ions Governed by the Ligand p-Orbitals in Their Magnetic Orbitals
[Review of ]. MOLECULES, 26(3).
2021 review
Spin Hamiltonians in Magnets: Theories and Computations
[Review of ]. MOLECULES, 26(4).
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).
2020 journal article
Atom Response Theory of Nonlinear Optical Responses and Its Applications
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 39(12), 2172–2181.
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).
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.
2020 journal article
Ferromagnetic dual topological insulator in a two-dimensional honeycomb lattice
MATERIALS HORIZONS, 7(9), 2431–2438.
2020 journal article
Hidden magnetic order in the triangular-lattice magnet Li2MnTeO6
PHYSICAL REVIEW B, 102(9).
2020 journal article
Intralayer ferromagnetism between S=5/2 ions in MnBi2Te4: Role of empty Bi p states
PHYSICAL REVIEW B, 101(20).
2020 journal article
Key Factors Controlling the Large Second Harmonic Generation in Nonlinear Optical Materials
ACS APPLIED MATERIALS & INTERFACES, 12(8), 9434–9439.
2020 journal article
Magneto-Optical Kerr Switching Properties of (CrI3)(2) and (CrBr3/CrI3) Bilayers
ACS APPLIED ELECTRONIC MATERIALS, 2(5), 1373–1380.
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.
2020 journal article
On Ferro- and Antiferro-Spin-Density Waves Describing the Incommensurate Magnetic Structure of NaYNiWO6
INORGANIC CHEMISTRY, 59(24), 17856–17859.
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.
2020 journal article
Peculiarities of magnetic ordering in the S=5/2 two-dimensional square-lattice antimonate NaMnSbO4
PHYSICAL REVIEW B, 101(5).
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.
2020 journal article
Second harmonic generation responses of KH2PO4: importance of K and breaking down of Kleinman symmetry
RSC ADVANCES, 10(44), 26479–26485.
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.
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.
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.
2020 journal article
Two-dimensional magnetism in alpha-CuV2O6
PHYSICAL REVIEW B, 102(1).
2019 journal article
Dependence of the Second-Harmonic Generation Response on the Cell Volume to Band-Gap Ratio
INORGANIC CHEMISTRY, 58(15), 9572–9575.
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.
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.
2019 journal article
Electronic and Structural Factors Controlling the Spin Orientations of Magnetic Ions
Inorganic Chemistry, 58(18), 11854–11874.
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.
2019 journal article
Improving the photocatalytic hydrogen evolution of UiO-67 by incorporating Ce4+-coordinated bipyridinedicarboxylate ligands
SCIENCE BULLETIN, 64(20), 1502–1509.
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.
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.
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.
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.
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.
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.
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.
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.
2018 journal article
Comparison of the electronic and thermoelectric properties of three layered phases Bi2Te3, PbBi2Te4 and PbBi4Te7: LEGO thermoelectrics
AIP ADVANCES, 8(11).
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).
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.
2018 journal article
Endotaxial growth of [100]-oriented TaON films on LiTaO3 single crystals for enhanced photoelectrochemical water splitting
Solar RRL, 2(6).
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.
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.
2018 journal article
Interband Electron Pairing for Superconductivity from the Breakdown of the Born-Oppenheimer Approximation
CHEMPHYSCHEM, 19(23), 3191–3195.
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.
2018 journal article
Magnetic excitations of the Cu2+ quantum spin chain in Sr3CuPtO6
PHYSICAL REVIEW B, 97(10).
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.
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.
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.
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.
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.
2017 journal article
Fine-Tuning the Properties of Doped Multifunctional Materials by Controlled Reduction of Dopants
CHEMISTRY-A EUROPEAN JOURNAL, 23(13), 2998–3001.
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.
2017 journal article
Magnetic field-temperature phase diagram of multiferroic [(CH3)(2)NH2]Mn(HCOO)(3)
PHYSICAL REVIEW B, 96(10).
2017 journal article
Magnetic phase transitions and magnetoelastic coupling in S=1/2 Heisenberg antiferromagnets
PHYSICAL REVIEW B, 95(10).
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.
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.
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.
2017 journal article
Roles of reaction kinetics of CO2 on a PrBaCo2O5.5+delta surfaces
RSC ADVANCES, 7(64), 40558–40562.
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.
2017 journal article
Single-Domain Ferromagnet of Noncentrosymmetric Uniaxial Magnetic Ions and Magnetoelectric Interaction
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 56(34), 10196–10199.
2017 journal article
Structural and Magnetic Properties of the Trirutile-type 1D-Heisenberg Anti-Ferromagnet CuTa2O6
INORGANIC CHEMISTRY, 56(11), 6318–6329.
2017 journal article
Superconductivity Induced by Oxygen Doping in Y2O2Bi
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 56(34), 10123–10126.
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.
2016 review
Analogies between Jahn-Teller and Rashba spin physics
[Review of ]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 116(20), 1442–1450.
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.
2016 journal article
Competing Jahn-Teller distortions and hydrostatic pressure effects in the quasi-one-dimensional quantum ferromagnet CuAs2O4
PHYSICAL REVIEW B, 93(2).
2016 journal article
Condensed-matter equation of states covering a wide region of pressure studied experimentally
Scientific Reports, 6.
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.
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.
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).
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).
2016 journal article
Spin-Lattice Coupling in [Ni(HF2)(pyrazine)(2)]SbF6 Involving the HF2- Superexchange Pathway
INORGANIC CHEMISTRY, 55(23), 12172–12178.
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.
2015 journal article
Atomically layer-by-layer diffusion of oxygen/hydrogen in highly epitaxial PrBaCo2O5.5+delta thin films
Applied Physics Letters, 107(24).
2015 journal article
Catalytic Dynamics and Oxygen Diffusion in Doped PrBaCo2O5.5+delta Thin Films
ACS APPLIED MATERIALS & INTERFACES, 7(43), 24353–24359.
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.
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.
2015 journal article
Emergence of ferroelectricity and spin-valley properties in two-dimensional honeycomb binary compounds
PHYSICAL REVIEW B, 91(16).
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.
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.
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.
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.
2015 journal article
New Phase of MnSb2O6 Prepared by Ion Exchange: Structural, Magnetic, and Thermodynamic Properties
INORGANIC CHEMISTRY, 54(4), 1705–1711.
2015 journal article
On Structural Features Necessary for Near-IR-Light Photocatalysts
CHEMISTRY-A EUROPEAN JOURNAL, 21(39), 13583–13587.
2015 journal article
On Why the Two Polymorphs of NaFePO4 Exhibit Widely Different Magnetic Structures: Density Functional Analysis
INORGANIC CHEMISTRY, 54(10), 4966–4971.
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.
2015 journal article
Pair Distribution Function and Density Functional Theory Analyses of Hydrogen Trapping by gamma-MnO2
INORGANIC CHEMISTRY, 54(4), 1194–1196.
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.
2015 journal article
Solution phase post-modification of a trimesic acid network on Au(111) with Zn2+ ions
CHEMICAL COMMUNICATIONS, 51(5), 873–876.
2015 journal article
Spin excitations in the two-dimensional strongly coupled dimer system malachite
PHYSICAL REVIEW B, 91(6).
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.
2015 journal article
Synthesis of the Layered Quaternary Uranium-Containing Oxide Cs2Mn3U6O22 and Characterization of its Magnetic Properties
INORGANIC CHEMISTRY, 54(11), 5495–5503.
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.
2015 journal article
Unexpected Precursor Effects to the Structural Phase Transition in EuTiO3
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 641(2), 180–183.
2014 journal article
Ag6Si2O7: a Silicate Photocatalyst for the Visible Region
CHEMISTRY OF MATERIALS, 26(13), 3873–3875.
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.
2014 journal article
Characterization of the spin-1/2 linear-chain ferromagnet CuAs2O4
PHYSICAL REVIEW B, 89(1).
2014 journal article
Crystal Structure and Magnetic Properties of FeSeO3F-Alternating Antiferromagnetic S=5/2 chains
INORGANIC CHEMISTRY, 53(8), 4250–4256.
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.
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.
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.
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).
2014 journal article
Most spin-1/2 transition-metal ions do have single ion anisotropy
Journal of Chemical Physics, 141(12).
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.
2014 journal article
Strain-induced quantum spin Hall effect in methyl-substituted germanane GeCH3
Scientific Reports, 4.
2014 journal article
Strongly correlated one-dimensional magnetic behavior of NiTa2O6
PHYSICAL REVIEW B, 89(1).
2014 journal article
Tunable ferroelectric polarization and its interplay with spin-orbit coupling in tin iodide perovskites
Nature Communications, 5.
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.
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.
2014 journal article
Ultrafast chemical dynamic behavior in highly epitaxial LaBaCo2O5+delta thin films
JOURNAL OF MATERIALS CHEMISTRY C, 2(28), 5660–5666.
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.
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.
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.
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.
2013 journal article
Cu2(OH)PO4, a Near-Infrared-Activated Photocatalyst
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 52(18), 4810–4813.
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).
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.
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.
2013 journal article
Hydrogen Sensing under Ambient Conditions Using SnO2 Nanowires: Synergetic Effect of Pd/Sn Codeposition
NANO LETTERS, 13(12), 5938–5943.
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.
2013 journal article
Magnetic Properties of the RbMnPO4 Zeolite-ABW-Type Material: A Frustrated Zigzag Spin Chain
INORGANIC CHEMISTRY, 52(16), 9627–9635.
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.
2013 journal article
Magnetic properties and energy-mapping analysis
DALTON TRANSACTIONS, 42(4), 823–853.
2013 journal article
Nonlinear pressure dependence of T-N in almost multiferroic EuTiO3
Journal of Physics. Condensed Matter, 25(37).
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.
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.
2013 journal article
Quantum Critical Transition Amplifies Magnetoelastic Coupling in Mn[N(CN)(2)](2)
PHYSICAL REVIEW LETTERS, 110(23).
2013 journal article
Spin-Peierls distortions in TiPO4
PHYSICAL REVIEW B, 88(18).
2013 journal article
Synthesis and Characterization of MnCrO4, a New Mixed-Valence Antiferromagnet
INORGANIC CHEMISTRY, 52(20), 11850–11858.
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.
2013 journal article
Unified model of ferroelectricity induced by spin order
PHYSICAL REVIEW B, 88(5).
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.
2012 journal article
CuBr2-A New Multiferroic Material with High Critical Temperature
ADVANCED MATERIALS, 24(18), 2469–2473.
2012 journal article
Density Functional Investigation of the Water Oxidation by Iron Complexes Based on Tetradentate Nitrogen Ligands
INORGANIC CHEMISTRY, 51(20), 10850–10855.
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.
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).
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.
2012 journal article
Helicoidal magnetic structure and ferroelectric polarization in Cu3Nb2O8
PHYSICAL REVIEW B, 86(17).
2012 journal article
Hydrogenated titania: synergy of surface modification and morphology improvement for enhanced photocatalytic activity
Chemical Communications, 48(46), 5733–5735.
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.
2012 journal article
Increasing the Phase-Transition Temperatures in Spin-Frustrated Multiferroic MnWO4 by Mo Doping
CHEMISTRY OF MATERIALS, 24(2), 353–360.
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.
2012 journal article
Investigation of the spin exchange interactions and the magnetic structure of the high-temperature multiferroic CuBr2
PHYSICAL REVIEW B, 86(6).
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.
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).
2012 journal article
Optical Properties of the Orchid Colored Silver(II) Fluoride Cs2AgF4
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 638(11), 1792–1795.
2012 journal article
Plasmonic photocatalysts: Harvesting visible light with noble metal nanoparticles
Physical Chemistry Chemical Physics, 14(28), 9813–9825.
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.
2012 journal article
Strong Dzyaloshinskii-Moriya Interaction and Origin of Ferroelectricity in Cu2OSeO3
PHYSICAL REVIEW LETTERS, 109(10).
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.
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.
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.
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.
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).
2011 journal article
Ba4KFe3O9: A Novel Ferrite Containing Discrete 6-Membered Rings of Corner-Sharing FeO4 Tetrahedra
INORGANIC CHEMISTRY, 50(20), 10310–10318.
Contributors: Q. Zhao *, S. Nellutla n, W. Son n, S. Vaughn, L. Ye, M. Smith, V. Caignaert*, M. Lufaso
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.
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.
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.
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.
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.
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.
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.
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.
2011 journal article