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Aravind Asthagiri
Aravind Asthagiri
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Cited by
Year
Selectivity of CO (2) reduction on copper electrodes: the role of the kinetics of elementary steps.
X Nie, MR Esopi, MJ Janik, A Asthagiri
Angewandte Chemie (International ed. in English) 52 (9), 2459-2462, 2013
9622013
Facet Dependence of CO2 Reduction Paths on Cu Electrodes
W Luo, X Nie, MJ Janik, A Asthagiri
Acs Catalysis 6 (1), 219-229, 2016
4792016
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
4532014
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
2862017
Naturally chiral metal surfaces as enantiospecific adsorbents
DS Sholl, A Asthagiri, TD Power
The Journal of Physical Chemistry B 105 (21), 4771-4782, 2001
2362001
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
2072015
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
1562005
Alkane activation on crystalline metal oxide surfaces
JF Weaver, C Hakanoglu, A Antony, A Asthagiri
Chemical Society Reviews 43 (22), 7536-7547, 2014
1542014
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
1512010
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
1452009
Solvation effects on DFT predictions of ORR activity on metal surfaces
Q Zhang, A Asthagiri
Catalysis Today 323, 35-43, 2019
1232019
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
932010
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
912002
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
872009
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
832014
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
802012
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
792013
First-principles study of cubic Bi pyrochlores
BB Hinojosa, JC Nino, A Asthagiri
Physical Review B 77 (10), 104123, 2008
762008
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
752011
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
752003
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