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
1062 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
534 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
510 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
319 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
241 2001 Dimeric [Mo2 S12 ]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
207 2015 Alkane activation on crystalline metal oxide surfaces JF Weaver, C Hakanoglu, A Antony, A Asthagiri
Chemical Society Reviews 43 (22), 7536-7547, 2014
160 2014 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
160 2005 Second-generation charge-optimized many-body potential for TR Shan, BD Devine, JM Hawkins, A Asthagiri, SR Phillpot, SB Sinnott
Physical Review B—Condensed Matter and Materials Physics 82 (23), 235302, 2010
155 2010 Solvation effects on DFT predictions of ORR activity on metal surfaces Q Zhang, A Asthagiri
Catalysis Today 323, 35-43, 2019
153 2019 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
153 2009 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
97 2010 First principles study of Pt adhesion and growth on SrO- and A Asthagiri, DS Sholl
The Journal of chemical physics 116 (22), 9914-9925, 2002
92 2002 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
91 2014 Adsorption of Water on a PdO(101) Thin Film: Evidence of an Adsorbed HO−H2 O Complex HH Kan, RJ Colmyer, A Asthagiri, JF Weaver
The Journal of Physical Chemistry C 113 (4), 1495-1506, 2009
91 2009 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
86 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
82 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
80 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
77 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
76 2016 
Jason F WeaverProfessor of Chemical Engineering, University of Floridaبريد إلكتروني تم التحقق منه على che.ufl.edu
