| Pseudopotentials for high-throughput DFT calculations KF Garrity, JW Bennett, KM Rabe, D Vanderbilt Computational Materials Science 81, 446-452, 2014 | 1539 | 2014 |
| Half-Heusler semiconductors as piezoelectrics A Roy, JW Bennett, KM Rabe, D Vanderbilt Physical review letters 109 (3), 037602, 2012 | 238 | 2012 |
| 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 | 205 | 2008 |
| 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—Condensed Matter and Materials Physics 83 (20), 205115, 2011 | 162 | 2011 |
| Hexagonal Semiconductors as Ferroelectrics JW Bennett, KF Garrity, KM Rabe, D Vanderbilt Physical review letters 109 (16), 167602, 2012 | 160 | 2012 |
| 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 | 137 | 2007 |
| Effect of substituting of S for O: The sulfide perovskite investigated with density functional theory JW Bennett, I Grinberg, AM Rappe Physical Review B—Condensed Matter and Materials Physics 79 (23), 235115, 2009 | 120 | 2009 |
| Effect of symmetry lowering on the dielectric response of JW Bennett, I Grinberg, AM Rappe Physical Review B—Condensed Matter and Materials Physics 73 (18), 180102, 2006 | 102 | 2006 |
| 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 | 80 | 2014 |
| Orthorhombic Semiconductors as Antiferroelectrics JW Bennett, KF Garrity, KM Rabe, D Vanderbilt Physical review letters 110 (1), 017603, 2013 | 79 | 2013 |
| 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 | 74 | 2018 |
| 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 | 63 | 2007 |
| Pb-free semiconductor ferroelectrics: A theoretical study of Pd-substituted solid solutions JW Bennett, I Grinberg, PK Davies, AM Rappe Physical Review B—Condensed Matter and Materials Physics 82 (18), 184106, 2010 | 60 | 2010 |
| 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 | 59 | 2012 |
| 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 | 51 | 2017 |
| 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 | 49 | 2019 |
| 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 | 49 | 2017 |
| 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 | 47 | 2020 |
| 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 | 47 | 2018 |
| Antiferroelectric Topological Insulators in Orthorhombic Compounds (, Na, K) B Monserrat, JW Bennett, KM Rabe, D Vanderbilt Physical review letters 119 (3), 036802, 2017 | 45 | 2017 |
Andrew M RappeBlanchard Professor of Chemistry, Prof. of Mat Sci and Eng, University of PennsylvaniaVerified email at sas.upenn.edu
