Aravind Asthagiri
Aravind Asthagiri
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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 125 (9), 2519-2522, 2013
Naturally chiral metal surfaces as enantiospecific adsorbents
DS Sholl, A Asthagiri, TD Power
The Journal of Physical Chemistry B 105 (21), 4771-4782, 2001
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
Facet Dependence of CO2 Reduction Paths on Cu Electrodes
W Luo, X Nie, MJ Janik, A Asthagiri
ACS Catalysis 6 (1), 219-229, 2016
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
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
Density functional theory study of the initial oxidation of the Pt (111) surface
JM Hawkins, JF Weaver, A Asthagiri
Physical Review B 79 (12), 125434, 2009
Second-generation charge-optimized many-body potential for Si/SiO 2 and amorphous silica
TR Shan, BD Devine, JM Hawkins, A Asthagiri, SR Phillpot, SB Sinnott
Physical Review B 82 (23), 235302, 2010
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
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
Alkane activation on crystalline metal oxide surfaces
JF Weaver, C Hakanoglu, A Antony, A Asthagiri
Chemical Society Reviews 43 (22), 7536-7547, 2014
Molecular adsorption of small alkanes on a PdO(101) thin film: Evidence of -complex formation
JF Weaver, C Hakanoglu, JM Hawkins, A Asthagiri
The Journal of chemical physics 132 (2), 024709, 2010
Atomically detailed models of the effect of thermal roughening on the enantiospecificity of naturally chiral platinum surfaces
TD Power, A Asthagiri, DS Sholl
Langmuir 18 (9), 3737-3748, 2002
Thin Pt films on the polar SrTiO3 (1 1 1) surface: an experimental and theoretical study
A Asthagiri, C Niederberger, AJ Francis, LM Porter, PA Salvador, DS Sholl
Surface science 537 (1-3), 134-152, 2003
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
First-principles study of cubic Bi pyrochlores
BB Hinojosa, JC Nino, A Asthagiri
Physical Review B 77 (10), 104123, 2008
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 (18-20), 1623-1633, 2013
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), 054702, 2012
Precursor-mediated dissociation of n-butane on a PdO (1 0 1) thin film
JF Weaver, JA Hinojosa Jr, C Hakanoglu, A Antony, JM Hawkins, ...
Catalysis today 160 (1), 213-227, 2011
Strong Kinetic Isotope Effect in the Dissociative Chemisorption of H2 on a PdO(101) Thin Film
C Hakanoglu, JM Hawkins, A Asthagiri, JF Weaver
The Journal of Physical Chemistry C 114 (26), 11485-11497, 2010
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