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Coupling of Crystal Structure and Magnetism in the Layered, Ferromagnetic Insulator CrI3

Chemistry of materials, 2015-01, Vol.27 (2), p.612-620

2015

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Tuning Fermi Levels in Intrinsic Antiferromagnetic Topological Insulators MnBi2Te4 and MnBi4Te7 by Defect Engineering and Chemical Doping

Advanced functional materials, 2021-01, Vol.31 (3), p.n/a

2021

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Porous Graphene as the Ultimate Membrane for Gas Separation

Nano letters, 2009-12, Vol.9 (12), p.4019-4024

2009

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Recent Advances in Two-Dimensional Materials beyond Graphene

ACS nano, 2015-12, Vol.9 (12), p.11509-11539

2015

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Probing the Local Site Disorder and Distortion in Pyrochlore High-Entropy Oxides

Journal of the American Chemical Society, 2021-03, Vol.143 (11), p.4193-4204

2021

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Computationally Accelerated Discovery of High Entropy Pyrochlore Oxides

Chemistry of materials, 2022-02, Vol.34 (4), p.1459-1472

2022

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Design of tough adhesive from commodity thermoplastics through dynamic crosslinking

Science advances, 2021-10, Vol.7 (42), p.eabk2451-eabk2451

2021

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van der Waals density functionals built upon the electron-gas tradition: facing the challenge of competing interactions

The Journal of chemical physics, 2014-05, Vol.140 (18), p.18A539-18A539

2014

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Putting error bars on density functional theory

Scientific reports, 2024-08, Vol.14 (1), p.20219-12, Article 20219

2024

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On the elastic anisotropy of the entropy-stabilized oxide (Mg, Co, Ni, Cu, Zn)O compound

Journal of applied physics, 2020-07, Vol.128 (1)

2020

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Non-conventional mechanism of ferroelectric fatigue via cation migration

Nature communications, 2019-07, Vol.10 (1), p.3064-8, Article 3064

2019

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Stabilization of weak ferromagnetism by strong magnetic response to epitaxial strain in multiferroic BiFeO3

Scientific reports, 2015-08, Vol.5 (1), p.12969-12969, Article 12969

2015

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van der Waals forces in density functional theory: a review of the vdW-DF method

Reports on progress in physics, 2015-06, Vol.78 (6), p.066501-066501

2015

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Enhanced Bifunctional Oxygen Catalysis in Strained LaNiO3 Perovskites

Journal of the American Chemical Society, 2016-03, Vol.138 (8), p.2488-2491

2016

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Relationship between local structure and phase transitions of a disordered solid solution

Nature (London), 2002-10, Vol.419 (6910n), p.909-911

2002

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A Density Functional Theory Study of the Benzene−Water Complex

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-09, Vol.112 (38), p.9031-9036

2008

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Surface Chemical Reactivity of Ultrathin Pd(111) Films on Ru(0001): Importance of Orbital Symmetry in the Application of the d‑Band Model

Journal of physical chemistry. C, 2015-10, Vol.119 (41), p.23495-23502

2015

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Microstructure-Dependent Gas Adsorption: Accurate Predictions of Methane Uptake in Nanoporous Carbons

Journal of chemical theory and computation, 2014-01, Vol.10 (1), p.1-4

2014

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Electrical Transition in Isostructural VO 2 Thin-Film Heterostructures

Scientific reports, 2019-12, Vol.9 (1), p.3009

2019

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Bettye Washington Greene: An Industrial Chemist and Inventor Who Lit a Path for Innovation

JOM (1989), 2022-02, Vol.74 (2), p.334-336

2022

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Predicting the Phase Stability of Multicomponent High-Entropy Compounds

Chemistry of materials, 2020-09, Vol.32 (17), p.7507-7515

2020

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Design and Realization of Ohmic and Schottky Interfaces for Oxide Electronics

Small science, 2022-02, Vol.2 (2), p.n/a

2022

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Van der Waals density functional: Self-consistent potential and the nature of the van der Waals bond

Physical review. B, Condensed matter and materials physics, 2007-09, Vol.76 (12), Article 125112

2007

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Tunable one-dimensional electron gas carrier densities at nanostructured oxide interfaces

Scientific reports, 2016-05, Vol.6 (1), p.25452-25452, Article 25452

2016

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Tuning oxygen electrocatalysis via strain on LaNiO3(001) (This manuscript has been authored by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United Stat

Physical chemistry chemical physics : PCCP, 2019, Vol.21 (9), p.4738-4745

2019

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Coupling of Crystal Structure and Magnetism in the Layered, Ferromagnetic Insulator CrI3

Tuning Fermi Levels in Intrinsic Antiferromagnetic Topological Insulators MnBi2Te4 and MnBi4Te7 by Defect Engineering and Chemical Doping

Porous Graphene as the Ultimate Membrane for Gas Separation

Recent Advances in Two-Dimensional Materials beyond Graphene

Probing the Local Site Disorder and Distortion in Pyrochlore High-Entropy Oxides

Computationally Accelerated Discovery of High Entropy Pyrochlore Oxides

Design of tough adhesive from commodity thermoplastics through dynamic crosslinking

van der Waals density functionals built upon the electron-gas tradition: facing the challenge of competing interactions

Putting error bars on density functional theory

On the elastic anisotropy of the entropy-stabilized oxide (Mg, Co, Ni, Cu, Zn)O compound

Non-conventional mechanism of ferroelectric fatigue via cation migration

Stabilization of weak ferromagnetism by strong magnetic response to epitaxial strain in multiferroic BiFeO3

van der Waals forces in density functional theory: a review of the vdW-DF method

Enhanced Bifunctional Oxygen Catalysis in Strained LaNiO3 Perovskites

Relationship between local structure and phase transitions of a disordered solid solution

A Density Functional Theory Study of the Benzene−Water Complex

Surface Chemical Reactivity of Ultrathin Pd(111) Films on Ru(0001): Importance of Orbital Symmetry in the Application of the d‑Band Model

Microstructure-Dependent Gas Adsorption: Accurate Predictions of Methane Uptake in Nanoporous Carbons

Electrical Transition in Isostructural VO 2 Thin-Film Heterostructures

Bettye Washington Greene: An Industrial Chemist and Inventor Who Lit a Path for Innovation

Predicting the Phase Stability of Multicomponent High-Entropy Compounds

Design and Realization of Ohmic and Schottky Interfaces for Oxide Electronics

Van der Waals density functional: Self-consistent potential and the nature of the van der Waals bond

Tunable one-dimensional electron gas carrier densities at nanostructured oxide interfaces

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