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Alexie M. Kolpak, Ph.D. - Publications

Affiliations: 
2007 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
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53 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
2020 May KJ, Kolpak AM. Improved description of perovskite oxide crystal structure and electronic properties using self-consistent Hubbard U corrections from ACBN0 Physical Review B. 101. DOI: 10.1103/Physrevb.101.165117  0.368
2019 Park K, Kolpak AM. Photocatalytic hydrogen evolution activity of Co/CoO hybrid structures: a first-principles study on the Co layer thickness effect Journal of Materials Chemistry A. 7: 16176-16189. DOI: 10.1039/C9Ta04508B  0.348
2019 Garg A, Gonçalves DS, Liu Y, Wang Z, Wang L, Yoo JS, Kolpak A, Rioux RM, Zanchet D, Román-Leshkov Y. Impact of Transition Metal Carbide and Nitride Supports on the Electronic Structure of Thin Platinum Overlayers Acs Catalysis. 9: 7090-7098. DOI: 10.1021/Acscatal.9B01272  0.382
2018 Forslund RP, Hardin WG, Rong X, Abakumov AM, Filimonov D, Alexander CT, Mefford JT, Iyer H, Kolpak AM, Johnston KP, Stevenson KJ. Exceptional electrocatalytic oxygen evolution via tunable charge transfer interactions in LaSrNiFeO Ruddlesden-Popper oxides. Nature Communications. 9: 3150. PMID 30089833 DOI: 10.1038/S41467-018-05600-Y  0.375
2018 Yoo JS, Liu Y, Rong X, Kolpak AM. Electronic Origin and Kinetic Feasibility of the Lattice Oxygen Participation During the Oxygen Evolution Reaction on Perovskites. The Journal of Physical Chemistry Letters. PMID 29510623 DOI: 10.1021/Acs.Jpclett.8B00154  0.335
2018 Yoo JS, Rong X, Liu Y, Kolpak AM. Role of Lattice Oxygen Participation in Understanding Trends in the Oxygen Evolution Reaction on Perovskites Acs Catalysis. 8: 4628-4636. DOI: 10.1021/Acscatal.8B00612  0.321
2018 Park K, Kolpak AM. Understanding photocatalytic overall water splitting on CoO nanoparticles: Effects of facets, surface stoichiometry, and the CoO/water interface Journal of Catalysis. 365: 115-124. DOI: 10.1016/J.Jcat.2018.06.021  0.325
2017 Dogan M, Fernandez-Pena S, Kornblum L, Jia Y, Kumah D, Reiner J, Krivokapic Z, Kolpak AM, Ismail-Beigi S, Ahn C, Walker F. Single atomic layer ferroelectric on silicon. Nano Letters. PMID 29244954 DOI: 10.1021/Acs.Nanolett.7B03988  0.697
2017 Lentz LC, Kolpak AM. First-principles design of nanostructured hybrid photovoltaics based on layered transition metal phosphates. Scientific Reports. 7: 1248. PMID 28455533 DOI: 10.1038/S41598-017-01296-0  0.333
2017 Kim Y, Cruz SS, Lee K, Alawode BO, Choi C, Song Y, Johnson JM, Heidelberger C, Kong W, Choi S, Qiao K, Almansouri I, Fitzgerald EA, Kong J, Kolpak AM, et al. Remote epitaxy through graphene enables two-dimensional material-based layer transfer. Nature. 544: 340-343. PMID 28426001 DOI: 10.1038/Nature22053  0.312
2017 Wannakao S, Artrith N, Limtrakul J, Kolpak AM. Catalytic Activity and Product Selectivity Trends for Carbon Dioxide Electroreduction on Transition Metal-Coated Tungsten Carbides The Journal of Physical Chemistry C. 121: 20306-20314. DOI: 10.1021/Acs.Jpcc.7B05741  0.715
2016 Artrith N, Sailuam W, Limpijumnong S, Kolpak AM. Reduced overpotentials for electrocatalytic water splitting over Fe- and Ni-modified BaTiO3. Physical Chemistry Chemical Physics : Pccp. PMID 27748475 DOI: 10.1039/C6Cp06031E  0.723
2016 Lentz LC, Kolb B, Kolpak AM. Control of valence and conduction band energies in layered transition metal phosphates via surface functionalization. Physical Chemistry Chemical Physics : Pccp. PMID 27157509 DOI: 10.1039/C6Cp00994H  0.363
2016 Mefford JT, Rong X, Abakumov AM, Hardin WG, Dai S, Kolpak AM, Johnston KP, Stevenson KJ. Water electrolysis on La1-xSrxCoO3-δ perovskite electrocatalysts. Nature Communications. 7: 11053. PMID 27006166 DOI: 10.1038/Ncomms11053  0.325
2016 Alawode BO, Kolpak AM. PbTiO3(001) Capped with ZnO(112̅0): An ab Initio Study of Effect of Substrate Polarization on Interface Composition and CO2 Dissociation. The Journal of Physical Chemistry Letters. 1310-1314. PMID 26996327 DOI: 10.1021/Acs.Jpclett.6B00305  0.353
2016 Elias JS, Artrith N, Bugnet M, Giordano L, Botton GA, Kolpak AM, Shao-Horn Y. Elucidating the Nature of the Active Phase in Copper/Ceria Catalysts for CO Oxidation Acs Catalysis. 6: 1675-1679. DOI: 10.1021/Acscatal.5B02666  0.715
2016 Rong X, Parolin J, Kolpak AM. A Fundamental Relationship between Reaction Mechanism and Stability in Metal Oxide Catalysts for Oxygen Evolution Acs Catalysis. 6: 1153-1158. DOI: 10.1021/Acscatal.5B02432  0.386
2015 Rong X, Kolpak AM. Ab Initio Approach for Prediction of Oxide Surface Structure, Stoichiometry, and Electrocatalytic Activity in Aqueous Solution. The Journal of Physical Chemistry Letters. 6: 1785-9. PMID 26263350 DOI: 10.1021/Acs.Jpclett.5B00509  0.404
2015 May KJ, Fenning DP, Ming T, Hong WT, Lee D, Stoerzinger KA, Biegalski MD, Kolpak AM, Shao-Horn Y. Thickness-Dependent Photoelectrochemical Water Splitting on Ultrathin LaFeO3 Films Grown on Nb:SrTiO3. The Journal of Physical Chemistry Letters. 6: 977-85. PMID 26262856 DOI: 10.1021/Acs.Jpclett.5B00169  0.381
2015 Wannakao S, Artrith N, Limtrakul J, Kolpak AM. Engineering Transition-Metal-Coated Tungsten Carbides for Efficient and Selective Electrochemical Reduction of CO2 to Methane. Chemsuschem. 8: 2745-51. PMID 26219085 DOI: 10.1002/Cssc.201500245  0.724
2015 Kolb B, Kolpak AM. First-Principles Design and Analysis of an Efficient, Pb-Free Ferroelectric Photovoltaic Absorber Derived from ZnSnO3 Chemistry of Materials. 27: 5899-5906. DOI: 10.1021/Acs.Chemmater.5B01601  0.339
2015 Artrith N, Kolpak AM. Grand canonical molecular dynamics simulations of Cu-Au nanoalloys in thermal equilibrium using reactive ANN potentials Computational Materials Science. 110: 20-28. DOI: 10.1016/J.Commatsci.2015.07.046  0.703
2014 Artrith N, Kolpak AM. Understanding the composition and activity of electrocatalytic nanoalloys in aqueous solvents: a combination of DFT and accurate neural network potentials. Nano Letters. 14: 2670-6. PMID 24742028 DOI: 10.1021/Nl5005674  0.718
2013 Garrity K, Kakekhani A, Kolpak A, Ismail-Beigi S. Ferroelectric surface chemistry: First-principles study of the PbTiO 3 surface Physical Review B - Condensed Matter and Materials Physics. 88. DOI: 10.1103/Physrevb.88.045401  0.742
2012 Méndez Polanco MA, Grinberg I, Kolpak AM, Levchenko SV, Pynn C, Rappe AM. Stabilization of highly polarized PbTiO 3 nanoscale capacitors due to in-plane symmetry breaking at the interface Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/Physrevb.85.214107  0.737
2012 Kolpak AM, Ismail-Beigi S. Interface structure and film polarization in epitaxial SrTiO 3/Si(001) Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/PhysRevB.85.195318  0.597
2012 Garrity KF, Kolpak AM, Ismail-Beigi S. Growth and interfacial properties of epitaxial oxides on semiconductors: Ab initio insights Journal of Materials Science. 47: 7417-7438. DOI: 10.1007/S10853-012-6425-Z  0.776
2011 Kolpak AM, Ismail-Beigi S. Thermodynamic stability and growth kinetics of epitaxial SrTiO3 on silicon Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/PhysRevB.83.165318  0.541
2010 Kolpak AM, Walker FJ, Reiner JW, Segal Y, Su D, Sawicki MS, Broadbridge CC, Zhang Z, Zhu Y, Ahn CH, Ismail-Beigi S. Interface-induced polarization and inhibition of ferroelectricity in epitaxial SrTiO₃/Si. Physical Review Letters. 105: 217601. PMID 21231354 DOI: 10.1103/PhysRevLett.105.217601  0.621
2010 Reiner JW, Kolpak AM, Segal Y, Garrity KF, Ismail-Beigi S, Ahn CH, Walker FJ. Crystalline oxides on silicon. Advanced Materials (Deerfield Beach, Fla.). 22: 2919-38. PMID 20432223 DOI: 10.1002/Adma.200904306  0.759
2010 Garrity K, Kolpak AM, Ismail-Beigi S, Altman EI. Chemistry of ferroelectric surfaces. Advanced Materials (Deerfield Beach, Fla.). 22: 2969-73. PMID 20419708 DOI: 10.1002/Adma.200903723  0.787
2010 Chen H, Kolpak AM, Ismail-Beigi S. Electronic and magnetic properties of SrTiO(3)/LaAlO(3) interfaces from first principles. Advanced Materials (Deerfield Beach, Fla.). 22: 2881-99. PMID 20408133 DOI: 10.1002/Adma.200903800  0.725
2010 Chen H, Kolpak A, Ismail-Beigi S. First-principles study of electronic reconstructions of LaAlO3 / SrTiO3 heterointerfaces and their variants Physical Review B - Condensed Matter and Materials Physics. 82. DOI: 10.1103/Physrevb.82.085430  0.723
2010 Kumah DP, Reiner JW, Segal Y, Kolpak AM, Zhang Z, Su D, Zhu Y, Sawicki MS, Broadbridge CC, Ahn CH, Walker FJ. The atomic structure and polarization of strained SrTiO3/Si Applied Physics Letters. 97. DOI: 10.1063/1.3529460  0.396
2009 Segal Y, Reiner JW, Kolpak AM, Zhang Z, Ismail-Beigi S, Ahn CH, Walker FJ. Atomic structure of the epitaxial BaO/Si(001) interface. Physical Review Letters. 102: 116101. PMID 19392218 DOI: 10.1103/PhysRevLett.102.116101  0.568
2009 Wang RV, Fong DD, Jiang F, Highland MJ, Fuoss PH, Thompson C, Kolpak AM, Eastman JA, Streiffer SK, Rappe AM, Stephenson GB. Reversible chemical switching of a ferroelectric film. Physical Review Letters. 102: 047601. PMID 19257476 DOI: 10.1103/Physrevlett.102.047601  0.581
2009 Chen H, Kolpak AM, Ismail-Beigi S. Fundamental asymmetry in interfacial electronic reconstruction between insulating oxides: An ab initio study Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/Physrevb.79.161402  0.747
2008 Kolpak AM, Li D, Shao R, Rappe AM, Bonnell DA. Evolution of the structure and thermodynamic stability of the BaTiO3(001) surface. Physical Review Letters. 101: 036102. PMID 18764267 DOI: 10.1103/Physrevlett.101.036102  0.547
2008 Li D, Zhao MH, Garra J, Kolpak AM, Rappe AM, Bonnell DA, Vohs JM. Direct in situ determination of the polarization dependence of physisorption on ferroelectric surfaces. Nature Materials. 7: 473-7. PMID 18469819 DOI: 10.1038/Nmat2198  0.555
2008 Shah SH, Bristowe PD, Kolpak AM, Rappe AM. First principles study of three-component SrTiO3/BaTiO 3/PbTiO3 ferroelectric superlattices Journal of Materials Science. 43: 3750-3760. DOI: 10.1007/S10853-007-2212-7  0.528
2007 Kolpak AM, Grinberg I, Rappe AM. Polarization effects on the surface chemistry of PbTiO3-supported Pt films. Physical Review Letters. 98: 166101. PMID 17501432 DOI: 10.1103/Physrevlett.98.166101  0.71
2007 Grinberg I, Kolpak AM, Shin YH, Rappe AM. Modeling of materials for naval SONAR, pollution control, and nonvolatile memory application Department of Defense - Proceedings of the Hpcmp Users Group Conference 2007; High Performance Computing Modernization Program: a Bridge to Future Defense, Dod Hpcmp Ugc. 177-184. DOI: 10.1109/HPCMP-UGC.2007.49  0.565
2007 Kolpak AM, Grinberg I, Rappe AM. Ferroelectric PbTiO3-supported Pt films as tunable catalysts Acs National Meeting Book of Abstracts.  0.626
2006 Spanier JE, Kolpak AM, Urban JJ, Grinberg I, Ouyang L, Yun WS, Rappe AM, Park H. Ferroelectric phase transition in individual single-crystalline BaTiO3 nanowires. Nano Letters. 6: 735-9. PMID 16608274 DOI: 10.1021/Nl052538E  0.66
2006 Fong DD, Kolpak AM, Eastman JA, Streiffer SK, Fuoss PH, Stephenson GB, Thompson C, Kim DM, Choi KJ, Eom CB, Grinberg I, Rappe AM. Stabilization of monodomain polarization in ultrathin PbTiO3 films. Physical Review Letters. 96: 127601. PMID 16605959 DOI: 10.1103/Physrevlett.96.127601  0.681
2006 Kolpak AM, Grinberg I, Rappe AM, Brown ST. New ferroelectrics for naval SONAR and modeling of nanoscale ferroelectric nonvolatile memory materials Proceedings - Hpcmp Users Group Conference, Ugc 2006. 205-211. DOI: 10.1109/HPCMP-UGC.2006.50  0.573
2006 Kolpak AM, Sai N, Rappe AM. Publisher's Note: Short-circuit boundary conditions in ferroelectricPbTiO3thin films [Phys. Rev. B74, 054112 (2006)] Physical Review B. 74. DOI: 10.1103/Physrevb.74.099901  0.479
2006 Sai N, Kolpak AM, Rappe AM. Erratum: Ferroelectricity in ultrathin perovskite films [Phys. Rev. B72, 020101(R) (2005)] Physical Review B. 74. DOI: 10.1103/Physrevb.74.059901  0.487
2006 Kolpak AM, Sai N, Rappe AM. Short-circuit boundary conditions in ferroelectric PbTi O3 thin films: Density-functional theory calculations Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/Physrevb.74.054112  0.538
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  0.76
2005 Sai N, Kolpak AM, Rappe AM. Ferroelectricity in ultrathin perovskite films Physical Review B - Condensed Matter and Materials Physics. 72. DOI: 10.1103/Physrevb.72.020101  0.577
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.  0.745
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.  0.71
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