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Joseph W. Bennett
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Pseudopotentials for high-throughput DFT calculations
KF Garrity, JW Bennett, KM Rabe, D Vanderbilt
Computational Materials Science 81, 446-452, 2014
14052014
Half-Heusler semiconductors as piezoelectrics
A Roy, JW Bennett, KM Rabe, D Vanderbilt
Physical review letters 109 (3), 037602, 2012
2192012
New Highly Polar Semiconductor Ferroelectrics through d8 Cation-O Vacancy Substitution into PbTiO3: A Theoretical Study
JW Bennett, I Grinberg, AM Rappe
Journal of the American Chemical Society 130 (51), 17409-17412, 2008
1992008
Post density functional theoretical studies of highly polar semiconductive Pb(TiNi)O solid solutions: Effects of cation arrangement on band gap
GY Gou, JW Bennett, H Takenaka, AM Rappe
Physical Review B 83 (20), 205115, 2011
1572011
Hexagonal Semiconductors as Ferroelectrics
JW Bennett, KF Garrity, KM Rabe, D Vanderbilt
Physical review letters 109 (16), 167602, 2012
1512012
A Pd-doped perovskite catalyst, BaCe1− xPdxO3− δ, for CO oxidation
UG Singh, J Li, JW Bennett, AM Rappe, R Seshadri, SL Scott
Journal of Catalysis 249 (2), 349-358, 2007
1292007
Effect of substituting of S for O: The sulfide perovskite investigated with density functional theory
JW Bennett, I Grinberg, AM Rappe
Physical Review B 79 (23), 235115, 2009
1082009
Effect of symmetry lowering on the dielectric response of BaZrO 3
JW Bennett, I Grinberg, AM Rappe
Physical Review B 73 (18), 180102, 2006
1012006
Orthorhombic A B C Semiconductors as Antiferroelectrics
JW Bennett, KF Garrity, KM Rabe, D Vanderbilt
Physical review letters 110 (1), 017603, 2013
782013
The structural diversity of abs3 compounds with d electronic configuration for the b-cation
JA Brehm, JW Bennett, MR Schoenberg, I Grinberg, AM Rappe
The Journal of chemical physics 140 (22), 2014
742014
Dissolution of Complex Metal Oxides from First-Principles and Thermodynamics: Cation Removal from the (001) Surface of Li(Ni1/3Mn1/3Co1/3)O2
JW Bennett, D Jones, X Huang, RJ Hamers, SE Mason
Environmental science & technology 52 (10), 5792-5802, 2018
692018
Pb-free semiconductor ferroelectrics: A theoretical study of Pd-substituted Ba (Ti 1− x Ce x) O 3 solid solutions
JW Bennett, I Grinberg, PK Davies, AM Rappe
Physical Review B 82 (18), 184106, 2010
592010
BaCe1-x Pd x O3-δ (0≤ x≤ 0.1): Redox Controlled Ingress and Egress of Palladium in a Perovskite
J Li, UG Singh, JW Bennett, K Page, JC Weaver, JP Zhang, T Proffen, ...
Chemistry of materials 19 (6), 1418-1426, 2007
592007
Integration of first-principles methods and crystallographic database searches for new ferroelectrics: Strategies and explorations
JW Bennett, KM Rabe
Journal of Solid State Chemistry 195, 21-31, 2012
562012
Ab Initio Atomistic Thermodynamics Study of the (001) Surface of LiCoO2 in a Water Environment and Implications for Reactivity under Ambient Conditions
X Huang, JW Bennett, MN Hang, ED Laudadio, RJ Hamers, SE Mason
The Journal of Physical Chemistry C 121 (9), 5069-5080, 2017
452017
DFT and thermodynamics calculations of surface cation release in LiCoO2
A Abbaspour-Tamijani, JW Bennett, DT Jones, N Cartagena-Gonzalez, ...
Applied surface science 515, 145865, 2020
432020
A systematic determination of hubbard U using the GBRV ultrasoft pseudopotential set
JW Bennett, BG Hudson, IK Metz, D Liang, S Spurgeon, Q Cui, SE Mason
Computational materials science 170, 109137, 2019
432019
Antiferroelectric Topological Insulators in Orthorhombic Compounds (, Na, K)
B Monserrat, JW Bennett, KM Rabe, D Vanderbilt
Physical review letters 119 (3), 036802, 2017
432017
First-principles and thermodynamics study of compositionally tuned complex metal oxides: cation release from the (001) surface of Mn-rich lithium nickel manganese cobalt oxide
JW Bennett, DT Jones, RJ Hamers, SE Mason
Inorganic chemistry 57 (21), 13300-13311, 2018
422018
Influence of nickel manganese cobalt oxide nanoparticle composition on toxicity toward Shewanella oneidensis MR-1: redesigning for reduced biological impact
IL Gunsolus, MN Hang, NV Hudson-Smith, JT Buchman, JW Bennett, ...
Environmental Science: Nano 4 (3), 636-646, 2017
422017
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