Valentino R. Cooper, Ph.D. - Publications

Affiliations: 
2005 University of Pennsylvania, Philadelphia, PA, United States 
Area:
theoretical and computational approaches to study complex systems in materials science, condensed-matter physics, and physical chemistry

71 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
2016 Zhuang HL, Zhang L, Xu H, Kent PR, Ganesh P, Cooper VR. Tunable one-dimensional electron gas carrier densities at nanostructured oxide interfaces. Scientific Reports. 6: 25452. PMID 27151049 DOI: 10.1038/srep25452  1
2016 Petrie JR, Cooper VR, Freeland JW, Meyer TL, Zhang Z, Lutterman DA, Lee HN. Enhanced bifunctional oxygen catalysis in strained LaNiO3 perovskites. Journal of the American Chemical Society. PMID 26866808 DOI: 10.1021/jacs.5b11713  1
2016 Li G, Rangel T, Liu ZF, Cooper VR, Neaton JB. Energy level alignment of self-assembled linear chains of benzenediamine on Au(111) from first principles Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/PhysRevB.93.125429  1
2016 Zhang L, Liu B, Zhuang H, Kent PRC, Cooper VR, Ganesh P, Xu H. Oxygen vacancy diffusion in bulk SrTiO3 from density functional theory calculations Computational Materials Science. 118: 309-315. DOI: 10.1016/j.commatsci.2016.02.041  1
2015 Bhimanapati GR, Lin Z, Meunier V, Jung Y, Cha JJ, Das S, Xiao D, Son Y, Strano MS, Cooper VR, Liang L, Louie SG, Ringe E, Zhou W, Sumpter BG, et al. Recent Advances in Two-Dimensional Materials Beyond Graphene. Acs Nano. PMID 26544756 DOI: 10.1021/acsnano.5b05556  1
2015 Dixit H, Lee JH, Krogel JT, Okamoto S, Cooper VR. Stabilization of weak ferromagnetism by strong magnetic response to epitaxial strain in multiferroic BiFeO3. Scientific Reports. 5: 12969. PMID 26246030 DOI: 10.1038/srep12969  1
2015 Berland K, Cooper VR, Lee K, Schröder E, Thonhauser T, Hyldgaard P, Lundqvist BI. van der Waals forces in density functional theory: a review of the vdW-DF method. Reports On Progress in Physics. Physical Society (Great Britain). 78: 066501. PMID 25978530 DOI: 10.1088/0034-4885/78/6/066501  1
2015 Zhuang HL, Cooper VR, Xu H, Ganesh P, Hennig RG, Kent PRC. Rashba effect in single-layer antimony telluroiodide SbTeI Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/PhysRevB.92.115302  1
2015 You JH, Lee JH, Okamoto S, Cooper V, Lee HN. Strain effects on the electronic properties in δ-doped oxide superlattices Journal of Physics D: Applied Physics. 48. DOI: 10.1088/0022-3727/48/8/085303  1
2015 McGuire MA, Dixit H, Cooper VR, Sales BC. Coupling of crystal structure and magnetism in the layered, ferromagnetic insulator cri3 Chemistry of Materials. 27: 612-620. DOI: 10.1021/cm504242t  1
2015 Yin X, Cooper VR, Weitering HH, Snijders PC. 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. 119: 23495-23502. DOI: 10.1021/acs.jpcc.5b06653  1
2015 Ruther RE, Dixit H, Pezeshki AM, Sacci RL, Cooper VR, Nanda J, Veith GM. Correlating Local Structure with Electrochemical Activity in Li2MnO3 Journal of Physical Chemistry C. 119: 18022-18029. DOI: 10.1021/acs.jpcc.5b03900  1
2015 Cooper VR, Donald KJ. First Principles Predictions of Van der Waals Bonded Inorganic Crystal Structures: Test Case, HgCl2 Physics Procedia. 68: 25-31. DOI: 10.1016/j.phpro.2015.07.104  1
2015 Liu B, Cooper VR, Zhang Y, Weber WJ. Segregation and trapping of oxygen vacancies near the SrTiO3 Σ3 (1 1 2) [ 1 ¯ 1 0 ] tilt grain boundary Acta Materialia. 90: 394-399. DOI: 10.1016/j.actamat.2015.02.043  1
2014 Dixit H, Zhou W, Idrobo JC, Nanda J, Cooper VR. Facet-dependent disorder in pristine high-voltage lithium-manganese-rich cathode material. Acs Nano. 8: 12710-6. PMID 25415876 DOI: 10.1021/nn505740v  1
2014 Cooper VR, Seo SS, Lee S, Kim JS, Choi WS, Okamoto S, Lee HN. Transparent conducting oxides: a δ-doped superlattice approach. Scientific Reports. 4: 6021. PMID 25109668 DOI: 10.1038/srep06021  1
2014 Liu B, Cooper VR, Xu H, Xiao H, Zhang Y, Weber WJ. Composition dependent intrinsic defect structures in SrTiO₃. Physical Chemistry Chemical Physics : Pccp. 16: 15590-6. PMID 24953742 DOI: 10.1039/c4cp01510j  1
2014 Berland K, Arter CA, Cooper VR, Lee K, Lundqvist BI, Schröder E, Thonhauser T, Hyldgaard P. van der Waals density functionals built upon the electron-gas tradition: facing the challenge of competing interactions. The Journal of Chemical Physics. 140: 18A539. PMID 24832347 DOI: 10.1063/1.4871731  1
2014 Zhuang HL, Ganesh P, Cooper VR, Xu H, Kent PRC. Understanding the interactions between oxygen vacancies at SrTiO3 (001) surfaces Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/PhysRevB.90.064106  1
2014 Voas BK, Usher TM, Liu X, Li S, Jones JL, Tan X, Cooper VR, Beckman SP. Special quasirandom structures to study the (K0.5Na0.5)Nb O3 random alloy Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/PhysRevB.90.024105  1
2014 Calder S, Cao GX, Okamoto S, Kim JW, Cooper VR, Gai Z, Sales BC, Lumsden MD, Mandrus D, Christianson AD. J eff = 1 2 Mott spin-orbit insulating state close to the cubic limit in Ca 4 IrO 6 Physical Review B - Condensed Matter and Materials Physics. 89. DOI: 10.1103/PhysRevB.89.081104  1
2014 Sivadas N, Dixit H, Cooper VR, Xiao D. Thickness-dependent carrier density at the surface of SrTiO3 (111) slabs Physical Review B - Condensed Matter and Materials Physics. 89. DOI: 10.1103/PhysRevB.89.075303  1
2014 Morris JR, Averill FW, Cooper VR. Theoretical studies of Ir5Th and Ir5Ce nanoscale precipitates in Ir Philosophical Magazine. 94: 991-1000. DOI: 10.1080/14786435.2013.875233  1
2014 Ihm Y, Cooper VR, Gallego NC, Contescu CI, Morris JR. Microstructure-dependent gas adsorption: Accurate predictions of methane uptake in nanoporous carbons Journal of Chemical Theory and Computation. 10: 1-4. DOI: 10.1021/ct400875n  1
2013 Choi WS, Jeen H, Lee JH, Seo SS, Cooper VR, Rabe KM, Lee HN. Reversal of the lattice structure in SrCoO(x) epitaxial thin films studied by real-time optical spectroscopy and first-principles calculations. Physical Review Letters. 111: 097401. PMID 24033069  0.36
2013 Choi WS, Jeen H, Lee JH, Seo SSA, Cooper VR, Rabe KM, Lee HN. Reversal of the lattice structure in SrCoOx epitaxial thin films studied by real-time optical spectroscopy and first-principles calculations Physical Review Letters. 111. DOI: 10.1103/PhysRevLett.111.097401  1
2013 Morris JR, Contescu CI, Chisholm MF, Cooper VR, Guo J, He L, Ihm Y, Mamontov E, Melnichenko YB, Olsen RJ, Pennycook SJ, Stone MB, Zhang H, Gallego NC. Modern approaches to studying gas adsorption in nanoporous carbons Journal of Materials Chemistry A. 1: 9341-9350. DOI: 10.1039/c3ta10701a  1
2012 Ihm Y, Cooper VR, Peng L, Morris JR. The influence of dispersion interactions on the hydrogen adsorption properties of expanded graphite. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 24: 424205. PMID 23032350 DOI: 10.1088/0953-8984/24/42/424205  1
2012 Choi WS, Lee S, Cooper VR, Lee HN. Fractionally δ-doped oxide superlattices for higher carrier mobilities. Nano Letters. 12: 4590-4. PMID 22928746 DOI: 10.1021/nl301844z  1
2012 Siemons W, McGuire MA, Cooper VR, Biegalski MD, Ivanov IN, Jellison GE, Boatner LA, Sales BC, Christen HM. Dielectric-constant-enhanced hall mobility in complex oxides. Advanced Materials (Deerfield Beach, Fla.). 24: 3965-9. PMID 22718520 DOI: 10.1002/adma.201104665  1
2012 Cooper VR. Enhanced carrier mobilities in two-dimensional electron gases at III-III/I-V oxide heterostructure interfaces Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/PhysRevB.85.235109  1
2012 Li G, Tamblyn I, Cooper VR, Gao HJ, Neaton JB. Molecular adsorption on metal surfaces with van der Waals density functionals Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/PhysRevB.85.121409  1
2012 Liu H, Cooper VR, Dai S, Jiang DE. Windowed carbon nanotubes for efficient CO2 removal from natural gas Journal of Physical Chemistry Letters. 3: 3343-3347. DOI: 10.1021/jz301576s  1
2012 Cooper VR, Morris JR, Takagi S, Singh DJ. La-driven morphotrophic phase boundary in the Bi(Zn1/2Ti 1/2)O3-La(Zn1/2Ti1/2)O 3-PbTiO3 solid solution Chemistry of Materials. 24: 4477-4482. DOI: 10.1021/cm303059h  1
2012 Cooper V, Ivankovic A, Karac A, McAuliffe D, Murphy N. Effects of bond gap thickness on the fracture of nano-toughened epoxy adhesive joints Polymer (United Kingdom). 53: 5540-5553. DOI: 10.1016/j.polymer.2012.09.049  1
2011 Berland K, Chakarova-Käck SD, Cooper VR, Langreth DC, Schröder E. A van der Waals density functional study of adenine on graphene: single-molecular adsorption and overlayer binding. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 23: 135001. PMID 21403239 DOI: 10.1088/0953-8984/23/13/135001  1
2011 Xu B, Singh DJ, Cooper VR, Feng YP. Design of a low band gap oxide ferroelectric: Bi6Ti 4O17 Epl. 94. DOI: 10.1209/0295-5075/94/37006  1
2011 Li G, Cooper VR, Cho JH, Du S, Gao HJ, Zhang Z. Self-assembly of molecular wires on H-terminated Si(100) surfaces driven by London dispersion forces Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/PhysRevB.84.241406  1
2011 Takagi S, Cooper VR, Singh DJ. Cooperative behavior of Zn cations in Bi-based perovskites: A comparison of (Bi,Sr)2ZnNbO6 and (Bi,Sr)2MgNbO6 Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/PhysRevB.83.115130  1
2011 Xu B, Cooper VR, Singh DJ, Feng YP. Relationship between bond stiffness and electrical energy storage capacity in oxides: Density functional calculations for h-La2O3, MgO, and BeO Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/PhysRevB.83.064115  1
2011 Cooper VR, Henry AS, Takagi S, Singh DJ. First principles prediction of a morphotropic phase boundary in the Bi (Zn1/2 Ti1/2) O3 - (Bi1/2 Sr1/2) (Zn1/2 Nb1/2) O3 alloy Applied Physics Letters. 98. DOI: 10.1063/1.3570626  1
2011 Karac A, Blackman BRK, Cooper V, Kinloch AJ, Rodriguez Sanchez S, Teo WS, Ivankovic A. Modelling the fracture behaviour of adhesively-bonded joints as a function of test rate Engineering Fracture Mechanics. 78: 973-989. DOI: 10.1016/j.engfracmech.2010.11.014  1
2010 Takagi S, Subedi A, Cooper VR, Singh DJ. Effect of A -site size difference on polar behavior in M BiScNbO 6 (M=Na, K, and Rb): Density functional calculations Physical Review B - Condensed Matter and Materials Physics. 82. DOI: 10.1103/PhysRevB.82.134108  1
2010 Cooper VR. Van der Waals density functional: An appropriate exchange functional Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/PhysRevB.81.161104  1
2010 Takagi S, Subedi A, Singh DJ, Cooper VR. Polar behavior of the double perovskites BiM ZnNbO6 ( M=Pb and Sr) from density-functional calculations Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/PhysRevB.81.134106  1
2010 Cooper VR, Kong L, Langreth DC. Computing dispersion interactions in density functional theory Physics Procedia. 3: 1417-1430. DOI: 10.1016/j.phpro.2010.01.201  1
2010 Morris JR, Averill FW, He H, Pan B, Cooper VR, Peng L. Lattice strain effects in graphane and partially-hydrogenated graphene sheets Materials Research Society Symposium Proceedings. 1216: 76-81.  1
2009 Langreth DC, Lundqvist BI, Chakarova-Käck SD, Cooper VR, Dion M, Hyldgaard P, Kelkkanen A, Kleis J, Kong L, Li S, Moses PG, Murray E, Puzder A, Rydberg H, Schröder E, et al. A density functional for sparse matter. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 21: 084203. PMID 21817355 DOI: 10.1088/0953-8984/21/8/084203  1
2009 Jiang DE, Cooper VR, Dai S. Porous graphene as the ultimate membrane for gas separation. Nano Letters. 9: 4019-24. PMID 19995080 DOI: 10.1021/nl9021946  1
2009 Li S, Cooper VR, Thonhauser T, Lundqvist BI, Langreth DC. Stacking interactions and DNA intercalation. The Journal of Physical Chemistry. B. 113: 11166-72. PMID 19719266 DOI: 10.1021/jp905765c  1
2009 Mason SE, Sokol EA, Cooper VR, Rappe AM. Spontaneous formation of dipolar metal nanoclusters. The Journal of Physical Chemistry. A. 113: 4134-7. PMID 19290645 DOI: 10.1021/jp8105088  1
2009 Averill FW, Morris JR, Cooper VR. Calculated properties of fully hydrogenated single layers of BN, BC2 N, and graphene: Graphane and its BN-containing analogues Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/PhysRevB.80.195411  1
2009 Cooper VR, Rabe KM. Enhancing piezoelectricity through polarization-strain coupling in ferroelectric superlattices Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/PhysRevB.79.180101  1
2009 Kong L, Cooper VR, Nijem N, Li K, Li J, Chabal YJ, Langreth DC. Theoretical and experimental analysis of H2 binding in a prototypical metal-organic framework material Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/PhysRevB.79.081407  1
2008 Li S, Cooper VR, Thonhauser T, Puzder A, Langreth DC. A density functional theory study of the benzene-water complex. The Journal of Physical Chemistry. A. 112: 9031-6. PMID 18729422 DOI: 10.1021/jp801693p  1
2008 Cooper VR, Thonhauser T, Langreth DC. An application of the van der Waals density functional: Hydrogen bonding and stacking interactions between nucleobases. The Journal of Chemical Physics. 128: 204102. PMID 18513005 DOI: 10.1063/1.2924133  1
2008 Hooper J, Cooper VR, Thonhauser T, Romero NA, Zerilli F, Langreth DC. Predicting C-H/pi interactions with nonlocal density functional theory. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 9: 891-5. PMID 18383059 DOI: 10.1002/cphc.200700715  1
2008 Cooper VR, Thonhauser T, Puzder A, Schröder E, Lundqvist BI, Langreth DC. Stacking interactions and the twist of DNA. Journal of the American Chemical Society. 130: 1304-8. PMID 18163624 DOI: 10.1021/ja0761941  1
2008 Hooper J, Cooper VR, Thonhauser T, Romero NA, Zerilli F, Langreth DC. Predicting C-H/π interactions with nonlocal density functional theory (ChemPhysChem (2008) 9, (891-895) DOI: 10.1002/cphc.200700715) Chemphyschem. 9: 1216. DOI: 10.1002/cphc.200890037  1
2008 Cooper V, Lvankovic A, Karac A. A Mode i fracture behaviouranalysis ofadhesively bonded joints 17th European Conference On Fracture 2008: Multilevel Approach to Fracture of Materials, Components and Structures. 3: 2191-2198.  1
2007 Thonhauser T, Cooper VR, Li S, Puzder A, Hyldgaard P, Langreth DC. 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. 76. DOI: 10.1103/PhysRevB.76.125112  1
2007 Cooper VR, Johnston K, Rabe KM. Polarization enhancement in short period superlattices via interfacial intermixing Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/PhysRevB.76.020103  1
2005 Gomez MA, Griffin MA, Jindal S, Rule KD, Cooper VR. The effect of octahedral tilting on proton binding sites and transition states in pseudo-cubic perovskite oxides. The Journal of Chemical Physics. 123: 94703. PMID 16164358 DOI: 10.1063/1.2035099  1
2005 Cooper VR, Kolpak AM, Yourdshahyan Y, Rappe AM. Supported metal electronic structure: Implications for molecular adsorption Physical Review B - Condensed Matter and Materials Physics. 72. DOI: 10.1103/PhysRevB.72.081409  1
2005 Shin YH, Cooper VR, Grinberg I, Rappe AM. Development of a bond-valence molecular-dynamics model for complex oxides Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/PhysRevB.71.054104  1
2004 Grinberg I, Cooper VR, Rappe AM. Oxide chemistry and local structure of PbZrxTi 1-xO3 studied by density-functional theory supercell calculations Physical Review B - Condensed Matter and Materials Physics. 69: 144118-1-144118-17. DOI: 10.1103/PhysRevB.69.144118  1
2004 Grinberg I, Cooper VR, Shin YH, Rappe AM, Baring TJ, Cable SB. Accelerated modeling and new ferroelectric materials for Naval SONAR Proceedings - Department of Defense High Performance Computing Modernization Program Users Group Conference, Ugc 2004. 27-33.  1
2004 Cooper VR, Kolpak AM, Rappe AM. Oxide-supported metal thin film catalysts: The how and why? Acs National Meeting Book of Abstracts. 228: CATL-25.  1
2003 Yourdshahyan Y, Grinberg I, Sai N, Cooper VR, Mason SE, Rappe AM, Kauffman RP. Relating fundamental chemistry and smart materials with DFT calculations Proceedings - 2003 User Group Conference. 20-35. DOI: 10.1109/DODUGC.2003.1253370  1
2003 Yourdshahyan Y, Cooper VR, Kolpak AM, Rappe AM. Catalytic behavior at the nanoscale: CO adsorption on Al2O 3-supported Pt clusters Proceedings of Spie - the International Society For Optical Engineering. 5223: 223-231.  1
2002 Grinberg I, Cooper VR, Rappe AM. Relationship between local structure and phase transitions of a disordered solid solution. Nature. 419: 909-11. PMID 12410319 DOI: 10.1038/nature01115  1
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