Aravind Asthagiri
Aravind Asthagiri
Verified email at - Homepage
Cited by
Cited by
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
Facet Dependence of CO2 Reduction Paths on Cu Electrodes
W Luo, X Nie, MJ Janik, A Asthagiri
Acs Catalysis 6 (1), 219-229, 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
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
Naturally chiral metal surfaces as enantiospecific adsorbents
DS Sholl, A Asthagiri, TD Power
The Journal of Physical Chemistry B 105 (21), 4771-4782, 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
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
Alkane activation on crystalline metal oxide surfaces
JF Weaver, C Hakanoglu, A Antony, A Asthagiri
Chemical Society Reviews 43 (22), 7536-7547, 2014
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
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
Solvation effects on DFT predictions of ORR activity on metal surfaces
Q Zhang, A Asthagiri
Catalysis Today 323, 35-43, 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
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
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
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
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
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
First-principles study of cubic Bi pyrochlores
BB Hinojosa, JC Nino, A Asthagiri
Physical Review B 77 (10), 104123, 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
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
The system can't perform the operation now. Try again later.
Articles 1–20