Joseph W. Bennett, Ph.D. - Publications

Affiliations: 
2009 University of Pennsylvania, Philadelphia, PA, United States 
Area:
Molecular Structure and Dynamics

27 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Bennett JW, Raglione ME, Oburn SM, MacGillivray LR, Arnold MA, Mason SE. DFT Computed Dielectric Response and THz Spectra of Organic Co-Crystals and Their Constituent Components. Molecules (Basel, Switzerland). 24. PMID 30857228 DOI: 10.3390/molecules24050959  0.68
2018 Bennett JW, Jones DT, Hamers RJ, Mason SE. 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. Inorganic Chemistry. PMID 30351064 DOI: 10.1021/acs.inorgchem.8b01855  0.68
2018 Laudadio ED, Bennett J, Green C, Mason SE, Hamers RJ. Impact of Phosphate Adsorption on Complex Cobalt Oxide Nanoparticle Dispersibility in Aqueous Media. Environmental Science & Technology. PMID 30078331 DOI: 10.1021/acs.est.8b02324  0.68
2018 Bennett J, Jones D, Huang X, Hamers RJ, Mason SE. Dissolution of complex metal oxides from first-principles and thermodynamics: Cation removal from the (001) surface of Li(NiMnCo)O. Environmental Science & Technology. PMID 29653050 DOI: 10.1021/acs.est.8b00054  0.68
2017 Liang D, Hong J, Fang D, Bennett JW, Mason SE, Hamers RJ, Cui Q. Analysis of the conformational properties of amine ligands at the gold/water interface with QM, MM and QM/MM simulations. Physical Chemistry Chemical Physics : Pccp. PMID 29226924 DOI: 10.1039/c7cp06709g  0.68
2017 Bennett JW, Bjorklund JL, Forbes TZ, Mason SE. Systematic Study of Aluminum Nanoclusters and Anion Adsorbates. Inorganic Chemistry. PMID 29048881 DOI: 10.1021/acs.inorgchem.7b01803  0.68
2014 Brehm JA, Bennett JW, Schoenberg MR, Grinberg I, Rappe AM. The structural diversity of ABS₃ compounds with d⁰ electronic configuration for the B-cation. The Journal of Chemical Physics. 140: 224703. PMID 24929410 DOI: 10.1063/1.4879659  1
2014 Brehm JA, Takenaka H, Lee CW, Grinberg I, Bennett JW, Schoenberg MR, Rappe AM. Density functional theory study of hypothetical PbTiO3 -based oxysulfides Physical Review B - Condensed Matter and Materials Physics. 89. DOI: 10.1103/PhysRevB.89.195202  1
2014 Garrity KF, Bennett JW, Rabe KM, Vanderbilt D. Pseudopotentials for high-throughput DFT calculations Computational Materials Science. 81: 446-452. DOI: 10.1016/j.commatsci.2013.08.053  1
2013 Bennett JW, Garrity KF, Rabe KM, Vanderbilt D. Orthorhombic ABC semiconductors as antiferroelectrics Physical Review Letters. 110. DOI: 10.1103/PhysRevLett.110.017603  1
2012 Bennett JW, Garrity KF, Rabe KM, Vanderbilt D. Hexagonal ABC semiconductors as ferroelectrics Physical Review Letters. 109. DOI: 10.1103/PhysRevLett.109.167602  1
2012 Roy A, Bennett JW, Rabe KM, Vanderbilt D. Half-heusler semiconductors as piezoelectrics Physical Review Letters. 109. DOI: 10.1103/PhysRevLett.109.037602  1
2012 Bennett JW, Rabe KM. Integration of first-principles methods and crystallographic database searches for new ferroelectrics: Strategies and explorations Journal of Solid State Chemistry. 195: 21-31. DOI: 10.1016/j.jssc.2012.05.013  1
2011 Qi T, Grinberg I, Bennett JW, Shin YH, Rappe AM, Yeh KL, Nelson KA. Studies of perovskite materials for high-performance storage media, piezoelectric, and solar energy conversion devices Proceedings - 2010 Dod High Performance Computing Modernization Program Users Group Conference, Hpcmp Ugc 2010. 249-258. DOI: 10.1109/HPCMP-UGC.2010.19  1
2011 Qi T, Curnan MT, Kim S, Bennett JW, Grinberg I, Rappe AM. First-principles study of band gap engineering via oxygen vacancy doping in perovskite ABB ′O 3 solid solutions Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/PhysRevB.84.245206  1
2011 Gou GY, Bennett JW, Takenaka H, Rappe AM. Post density functional theoretical studies of highly polar semiconductive Pb(Ti1-xNix)O3-x solid solutions: Effects of cation arrangement on band gap Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/PhysRevB.83.205115  1
2011 Bennett JW, Grinberg I, Davies PK, Rappe AM. Pb-free ferroelectrics investigated with density functional theory: SnAl1/2Nb1/2O3 perovskites Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/PhysRevB.83.144112  1
2010 Bennett JW, Grinberg I, Davies PK, Rappe AM. Pb-free semiconductor ferroelectrics: A theoretical study of Pd-substituted Ba ( Ti1-x Cex ) O3 solid solutions Physical Review B - Condensed Matter and Materials Physics. 82. DOI: 10.1103/PhysRevB.82.184106  1
2009 Qi T, Levchenko SV, Bennett JW, Grinberg I, Rappe AM. New prospects for high performance SONAR, chemical sensor, and communication device materials Department of Defense Proceedings of the High Performance Computing Modernization Program - Users Group Conference, Hpcmp-Ugc 2009. 197-204. DOI: 10.1109/HPCMP-UGC.2009.34  1
2009 Bennett JW, Grinberg I, Rappe AM. Effect of substituting of S for O: The sulfide perovskite BaZrS3 investigated with density functional theory Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/PhysRevB.79.235115  1
2008 Bennett JW, Grinberg I, Rappe AM. New highly polar semiconductor ferroelectrics through d8 cation-O vacancy substitution into PbTiO3: a theoretical study. Journal of the American Chemical Society. 130: 17409-12. PMID 19053459 DOI: 10.1021/ja8052249  1
2008 Bennett JW, Grinberg I, Shin YH, Rappe AM. Modeling of materials for naval sonar, pollution control and nonvolatile memory application 2008 Proceedings of the Department of Defense High Performance Computing Modernization Program: Users Group Conference - Solving the Hard Problems. 214-220. DOI: 10.1109/DoD.HPCMP.UGC.2008.77  1
2008 Bennett JW, Grinberg I, Rappe AM. Nonmonotonic composition dependence of the dielectric response of Ba 1-xCaxZrO3 Chemistry of Materials. 20: 5134-5138. DOI: 10.1021/cm800929e  1
2008 Bennett JW, Grinberg I, Rappe AM. Decreasing the band gap: Highly polarized oxides for solar conversion Acs National Meeting Book of Abstracts 1
2007 Li J, Singh UG, Bennett JW, Page K, Weaver JC, Zhang JP, Proffen T, Rappe AM, Scott S, Seshadri R. BaCe1-xPdxO3-δ (0 ≤ x ≤ 0.1): Redox controlled ingress and egress of palladium in a perovskite Chemistry of Materials. 19: 1418-1426. DOI: 10.1021/cm062500i  1
2007 Singh UG, Li J, Bennett JW, Rappe AM, Seshadri R, Scott SL. A Pd-doped perovskite catalyst, BaCe1 - x Pdx O3 - δ, for CO oxidation Journal of Catalysis. 249: 349-358. DOI: 10.1016/j.jcat.2007.04.023  1
2006 Bennett JW, Grinberg I, Rappe AM. Effect of symmetry lowering on the dielectric response of BaZrO3 Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/PhysRevB.73.180102  1
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