Alexie M. Kolpak, Ph.D. - Publications

2007 University of Pennsylvania, Philadelphia, PA, United States 
theoretical and computational approaches to study complex systems in materials science, condensed-matter physics, and physical chemistry

47 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
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  1
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  1
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  1
2016 Romano G, Esfarjani K, Strubbe DA, Broido D, Kolpak AM. Temperature-dependent thermal conductivity in silicon nanostructured materials studied by the Boltzmann transport equation Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/Physrevb.93.035408  1
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  1
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  1
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  1
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  1
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  1
2015 Chou JB, Fenning DP, Wang Y, Polanco MAM, Hwang J, El-Faer A, Sammoura F, Viegas J, Rasras M, Kolpak AM, Shao-Horn Y, Kim SG. Broadband photoelectric hot carrier collection with wafer-scale metallic-semiconductor photonic crystals 2015 Ieee 42nd Photovoltaic Specialist Conference, Pvsc 2015. DOI: 10.1109/PVSC.2015.7356229  1
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  1
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  1
2014 Kucharski TJ, Ferralis N, Kolpak AM, Zheng JO, Nocera DG, Grossman JC. Templated assembly of photoswitches significantly increases the energy-storage capacity of solar thermal fuels. Nature Chemistry. 6: 441-7. PMID 24755597 DOI: 10.1038/Nchem.1918  1
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  1
2014 Kucharski TJ, Ferralis N, Kolpak AM, Zheng JO, Nocera DG, Grossman JC. Templated assembly of photoswitches significantly increases the energy-storage capacity of solar thermal fuels Nature Chemistry. 6: 441-447. DOI: 10.1038/nchem1918  1
2013 Kolpak AM, Grossman JC. Hybrid chromophore/template nanostructures: a customizable platform material for solar energy storage and conversion. The Journal of Chemical Physics. 138: 034303. PMID 23343272 DOI: 10.1063/1.4773306  1
2013 Kolb B, Kolpak AM. Ultrafast band-gap oscillations in iron pyrite Physical Review B - Condensed Matter and Materials Physics. 88. DOI: 10.1103/Physrevb.88.235208  1
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  1
2012 Harpham MR, Nguyen SC, Hou Z, Grossman JC, Harris CB, Mara MW, Stickrath AB, Kanai Y, Kolpak AM, Lee D, Liu DJ, Lomont JP, Moth-Poulsen K, Vinokurov N, Chen LX, et al. X-ray transient absorption and picosecond IR spectroscopy of fulvalene(tetracarbonyl)diruthenium on photoexcitation. Angewandte Chemie (International Ed. in English). 51: 7692-6. PMID 22740313 DOI: 10.1002/Anie.201202952  1
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  1
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  1
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  1
2011 Kolpak AM, Grossman JC. Azobenzene-functionalized carbon nanotubes as high-energy density solar thermal fuels. Nano Letters. 11: 3156-62. PMID 21688811 DOI: 10.1021/Nl201357N  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
2007 Kolpak AM, Grinberg I, Rappe AM. Ferroelectric PbTiO3-supported Pt films as tunable catalysts Acs National Meeting Book of Abstracts 1
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  1
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  1
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  1
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  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 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  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, 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
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