Sneha A. Akhade
TitleCited byYear
Effects of strain, d-band filling, and oxidation state on the surface electronic structure and reactivity of 3d perovskite surfaces
SA Akhade, JR Kitchin
The Journal of chemical physics 137 (8), 084703, 2012
442012
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
422014
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
382016
The impact of specifically adsorbed ions on the copper-catalyzed electroreduction of CO2
SA Akhade, IT McCrum, MJ Janik
Journal of The Electrochemical Society 163 (6), F477-F484, 2016
342016
Effects of sublattice symmetry and frustration on ionic transport in garnet solid electrolytes
B Kozinsky, SA Akhade, P Hirel, A Hashibon, C Elsässer, P Mehta, ...
Physical review letters 116 (5), 055901, 2016
302016
Electrochemical specific adsorption of halides on Cu 111, 100, and 211: A Density Functional Theory study
IT McCrum, SA Akhade, MJ Janik
Electrochimica Acta 173, 302-309, 2015
292015
A simple method to approximate electrode potential-dependent activation energies using density functional theory
SA Akhade, NJ Bernstein, MR Esopi, MJ Regula, MJ Janik
Catalysis Today 288, 63-73, 2017
192017
Density functional theory study of carbon dioxide electrochemical reduction on the Fe (100) surface
NJ Bernstein, SA Akhade, MJ Janik
Physical Chemistry Chemical Physics 16 (27), 13708-13717, 2014
192014
A combined experimental and theoretical study on the activity and selectivity of the electrocatalytic hydrogenation of aldehydes
DC Cantu, AB Padmaperuma, MT Nguyen, SA Akhade, Y Yoon, YG Wang, ...
Acs Catalysis 8 (8), 7645-7658, 2018
182018
Effects of strain, d-band filling, and oxidation state on the bulk electronic structure of cubic 3d perovskites
SA Akhade, JR Kitchin
The Journal of chemical physics 135 (10), 104702, 2011
172011
Impact of pH on aqueous-phase phenol hydrogenation catalyzed by carbon-supported Pt and Rh
N Singh, MS Lee, SA Akhade, G Cheng, DM Camaioni, OY Gutiérrez, ...
ACS Catalysis 9 (2), 1120-1128, 2018
82018
Effect of surface chemistry on water interaction with Cu (111)
AC Antony, T Liang, SA Akhade, MJ Janik, SR Phillpot, SB Sinnott
Langmuir 32 (32), 8061-8070, 2016
62016
Using Brønsted-Evans-Polanyi relations to predict electrode potential-dependent activation energies
SA Akhade, RM Nidzyn, G Rostamikia, MJ Janik
Catalysis Today 312, 82-91, 2018
52018
Charge optimized many body (COMB) potentials for Pt and Au
AC Antony, SA Akhade, Z Lu, T Liang, MJ Janik, SR Phillpot, SB Sinnott
Journal of Physics: Condensed Matter 29 (22), 225901, 2017
52017
Applied Potentials in Variable-Charge Reactive Force Fields for Electrochemical Systems
T Liang, AC Antony, SA Akhade, MJ Janik, SB Sinnott
The Journal of Physical Chemistry A 122 (2), 631-638, 2018
42018
Understanding the role of metal and molecular structure on the electrocatalytic hydrogenation of oxygenated organic compounds
JA Lopez-Ruiz, E Andrews, SA Akhade, MS Lee, K Koh, U Sanyal, SF Yuk, ...
ACS Catalysis 9 (11), 9964-9972, 2019
32019
The Nature of Hydrogen Adsorption on Platinum in the Aqueous Phase
G Yang, SA Akhade, X Chen, Y Liu, MS Lee, VA Glezakou, R Rousseau, ...
Angewandte Chemie International Edition 58 (11), 3527-3532, 2019
32019
Simulating an applied voltage in molecular dynamics using charge optimized many body (COMB3) potentials
AC Antony, SA Akhade, T Liang, MJ Janik, JK Maranas, SB Sinnott
ECS Transactions 69 (1), 103-105, 2015
32015
Electro-reduction of organics on metal cathodes: A multiscale-modeling study of benzaldehyde on Au (111)
MT Nguyen, SA Akhade, DC Cantu, MS Lee, VA Glezakou, R Rousseau
Catalysis Today, 2019
12019
Erratum to “A Combined Experimental and Theoretical Study on the Activity and Selectivity of the Electrocatalytic Hydrogenation of Aldehydes”
DC Cantu, AB Padmaperuma, MT Nguyen, SA Akhade, Y Yoon, YG Wang, ...
ACS Catalysis 9 (3), 1738-1738, 2019
12019
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Articles 1–20