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
1092 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
557 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
525 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
326 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
240 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
220 2015 Alkane activation on crystalline metal oxide surfaces JF Weaver, C Hakanoglu, A Antony, A Asthagiri
Chemical Society Reviews 43 (22), 7536-7547, 2014
164 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
163 2005 Solvation effects on DFT predictions of ORR activity on metal surfaces Q Zhang, A Asthagiri
Catalysis Today 323, 35-43, 2019
161 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
161 2009 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 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
100 2010 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
93 2014 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
93 2002 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
90 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
88 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
87 2013 CO Poisoning Effects on FeNC and CNx Q Zhang, K Mamtani, D Jain, U Ozkan, A Asthagiri
The Journal of Physical Chemistry C 120 (28), 15173-15184, 2016
81 2016 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
81 2008 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
77 2016 
Jason F WeaverProfessor of Chemical Engineering, University of FloridaAdresă de e-mail confirmată pe che.ufl.edu