| Selectivity of CO2 Reduction on Copper Electrodes: The Role of the Kinetics of Elementary Steps. X Nie, MR Esopi, MJ Janik, A Asthagiri Angewandte Chemie International Edition 52 (9), 2013 | 1007 | 2013 |
| Facet Dependence of CO2 Reduction Paths on Cu Electrodes W Luo, X Nie, MJ Janik, A Asthagiri Acs Catalysis 6 (1), 219-229, 2016 | 497 | 2016 |
| Reaction mechanisms of CO2 electrochemical reduction on Cu (1 1 1) determined with density functional theory X Nie, W Luo, MJ Janik, A Asthagiri Journal of catalysis 312, 108-122, 2014 | 471 | 2014 |
| Low-temperature activation of methane on the IrO2 (110) surface Z Liang, T Li, M Kim, A Asthagiri, JF Weaver Science 356 (6335), 299-303, 2017 | 300 | 2017 |
| Naturally chiral metal surfaces as enantiospecific adsorbents DS Sholl, A Asthagiri, TD Power The Journal of Physical Chemistry B 105 (21), 4771-4782, 2001 | 239 | 2001 |
| Dimeric [Mo2S12]2− Cluster: A Molecular Analogue of MoS2 Edges for Superior Hydrogen‐Evolution Electrocatalysis Z Huang, W Luo, L Ma, M Yu, X Ren, M He, S Polen, K Click, B Garrett, ... Angewandte chemie international edition 54 (50), 15181-15185, 2015 | 200 | 2015 |
| Atomic-level simulation of ferroelectricity in oxide materials M Sepliarsky, A Asthagiri, SR Phillpot, MG Stachiotti, RL Migoni Current Opinion in Solid State and Materials Science 9 (3), 107-113, 2005 | 155 | 2005 |
| Alkane activation on crystalline metal oxide surfaces JF Weaver, C Hakanoglu, A Antony, A Asthagiri Chemical Society Reviews 43 (22), 7536-7547, 2014 | 154 | 2014 |
| Second-generation charge-optimized many-body potential for and amorphous silica TR Shan, BD Devine, JM Hawkins, A Asthagiri, SR Phillpot, SB Sinnott Physical Review B—Condensed Matter and Materials Physics 82 (23), 235302, 2010 | 152 | 2010 |
| Density functional theory study of the initial oxidation of the Pt (111) surface JM Hawkins, JF Weaver, A Asthagiri Physical Review B—Condensed Matter and Materials Physics 79 (12), 125434, 2009 | 147 | 2009 |
| Solvation effects on DFT predictions of ORR activity on metal surfaces Q Zhang, A Asthagiri Catalysis Today 323, 35-43, 2019 | 134 | 2019 |
| Molecular adsorption of small alkanes on a PdO (101) thin film: Evidence of σ-complex formation JF Weaver, C Hakanoglu, JM Hawkins, A Asthagiri The Journal of chemical physics 132 (2), 2010 | 95 | 2010 |
| First principles study of Pt adhesion and growth on SrO- and -terminated A Asthagiri, DS Sholl The Journal of chemical physics 116 (22), 9914-9925, 2002 | 91 | 2002 |
| Adsorption of Water on a PdO(101) Thin Film: Evidence of an Adsorbed HO−H2O Complex HH Kan, RJ Colmyer, A Asthagiri, JF Weaver The Journal of Physical Chemistry C 113 (4), 1495-1506, 2009 | 89 | 2009 |
| Poisoning effect of adsorbed CO during CO 2 electroreduction on late transition metals SA Akhade, W Luo, X Nie, NJ Bernstein, A Asthagiri, MJ Janik Physical Chemistry Chemical Physics 16 (38), 20429-20435, 2014 | 87 | 2014 |
| Dispersion-corrected density functional theory calculations of the molecular binding of n-alkanes on Pd (111) and PdO (101) A Antony, C Hakanoglu, A Asthagiri, JF Weaver The Journal of Chemical Physics 136 (5), 2012 | 82 | 2012 |
| A first-principles study of the role of quaternary-N doping on the oxygen reduction reaction activity and selectivity of graphene edge sites X Bao, X Nie, D Von Deak, EJ Biddinger, W Luo, A Asthagiri, US Ozkan, ... Topics in Catalysis 56, 1623-1633, 2013 | 81 | 2013 |
| First-principles study of cubic Bi pyrochlores BB Hinojosa, JC Nino, A Asthagiri Physical Review B—Condensed Matter and Materials Physics 77 (10), 104123, 2008 | 78 | 2008 |
| Structure and energetics of 180 domain walls in PbTiO3 by density functional theory RK Behera, CW Lee, D Lee, AN Morozovska, SB Sinnott, A Asthagiri, ... Journal of Physics: Condensed Matter 23 (17), 175902, 2011 | 75 | 2011 |
| Theoretical insight on reactivity trends in CO 2 electroreduction across transition metals SA Akhade, W Luo, X Nie, A Asthagiri, MJ Janik Catalysis Science & Technology 6 (4), 1042-1053, 2016 | 74 | 2016 |
Jason F WeaverProfessor of Chemical Engineering, University of Florida在 che.ufl.edu 的电子邮件经过验证
