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Yao Sha
Yao Sha
Verified email at wag.caltech.edu
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Year
Theoretical study of solvent effects on the platinum-catalyzed oxygen reduction reaction
Y Sha, TH Yu, Y Liu, BV Merinov, WA Goddard III
The Journal of Physical Chemistry Letters 1 (5), 856-861, 2010
2322010
Mechanism for degradation of Nafion in PEM fuel cells from quantum mechanics calculations
TH Yu, Y Sha, WG Liu, BV Merinov, P Shirvanian, WA Goddard III
Journal of the American Chemical Society 133 (49), 19857-19863, 2011
1722011
Mechanism for degradation of Nafion in PEM fuel cells from quantum mechanics calculations
TH Yu, Y Sha, WG Liu, BV Merinov, P Shirvanian, WA Goddard III
Journal of the American Chemical Society 133 (49), 19857-19863, 2011
1722011
Oxygen hydration mechanism for the oxygen reduction reaction at Pt and Pd fuel cell catalysts
Y Sha, TH Yu, BV Merinov, P Shirvanian, WA Goddard III
The Journal of Physical Chemistry Letters 2 (6), 572-576, 2011
1402011
Finding correlations of the oxygen reduction reaction activity of transition metal catalysts with parameters obtained from quantum mechanics
TH Yu, T Hofmann, Y Sha, BV Merinov, DJ Myers, C Heske, ...
The Journal of Physical Chemistry C 117 (50), 26598-26607, 2013
992013
DFT prediction of oxygen reduction reaction on palladium–copper alloy surfaces
Y Sha, TH Yu, BV Merinov, WA Goddard III
Acs Catalysis 4 (4), 1189-1197, 2014
972014
Mechanism for Oxygen Reduction Reaction on Pt3Ni Alloy Fuel Cell Cathode
Y Sha, TH Yu, BV Merinov, P Shirvanian, WA Goddard III
The Journal of Physical Chemistry C 116 (40), 21334-21342, 2012
752012
Improved non-Pt alloys for the oxygen reduction reaction at fuel cell cathodes predicted from quantum mechanics
TH Yu, Y Sha, BV Merinov, WA Goddard III
The Journal of Physical Chemistry C 114 (26), 11527-11533, 2010
672010
Dramatic increase in the oxygen reduction reaction for platinum cathodes from tuning the solvent dielectric constant
A Fortunelli, WA Goddard, Y Sha, TH Yu, L Sementa, G Barcaro, ...
Angewandte Chemie International Edition 53 (26), 6669-6672, 2014
432014
A Cyclic Hexapeptide Comprising Alternating α‐Aminoxy and α‐Amino Acids is a Selective Chloride Ion Receptor
D Yang, X Li, Y Sha, YD Wu
Chemistry–A European Journal 11 (10), 3005-3009, 2005
432005
Density Functional Theory Study of Pt3M Alloy Surface Segregation with Adsorbed O/OH and Pt3Os as Catalysts for Oxygen Reduction Reaction
HC Tsai, TH Yu, Y Sha, BV Merinov, PW Wu, SY Chen, WA Goddard III
The Journal of Physical Chemistry C 118 (46), 26703-26712, 2014
422014
The effect of different environments on Nafion degradation: Quantum mechanics study
HY Ted, WG Liu, Y Sha, BV Merinov, P Shirvanian, WA Goddard III
Journal of membrane science 437, 276-285, 2013
352013
Prediction of the dependence of the fuel cell oxygen reduction reactions on operating voltage from DFT calculations
Y Sha, TH Yu, BV Merinov, WA Goddard III
The Journal of Physical Chemistry C 116 (10), 6166-6173, 2012
342012
Non-platinum bimetallic cathode electrocatalysts
D Myers, X Wang, N Kariuki, S Niyogi, J Mawdsley, JD Carter
FY 2010 DOE Hydrogen Program Annual Progress Report, 811, 2010
62010
The Mechanisms of the Fuel Cell Oxygen Reduction Reaction on Pt and Other 8-11 Column Metal Surfaces
Y Sha
California Institute of Technology, 2011
22011
Nafion Polymer Backbone Degradation Mechanism in PEM Fuel Cell from Quantum Mechanics Calculations
T Yu, Y Sha, WG Liu, BV Merinov, P Shirvanian, WA Goddard
ECS Meeting Abstracts, 1308, 2012
2012
DFT Study of Pt Alloy and Pt Thin Film Catalysts for the Cathode Oxygen Reduction Reaction in PEM Fuel Cells
WA Goddard, Y Sha, T Yu, HC Tsai, BV Merinov, P Shirvanian
ECS Meeting Abstracts, 1561, 2012
2012
Degradation Mechanism of Nafion Polymer Backbone in PEM Fuel Cell from Quantum Mechanics Calculations
HY Ted, WG Liu, Y Sha, BV Merinov, P Shirvanian, WA Goddard III
DEGRADATIONS AND IMPROVEMENTS IN PEM FUEL CELL MATERIALS: A COMPUTATIONAL …, 2012
2012
Comparison of Density of State of Pure Metals and their Catalytic Activity using Quantum Mechanics
TH Yu, T Hofmann, Y Sha, BV Merinov, C Heske, WA Goddard III
DEGRADATIONS AND IMPROVEMENTS IN PEM FUEL CELL MATERIALS: A COMPUTATIONAL …, 2012
2012
Mechanism for the Oxygen Reduction Reaction on Pt3Co Alloy Fuel Cell cathodes
HY Ted, Y Sha, BV Merinov, P Shirvanian, WA Goddard III
DEGRADATIONS AND IMPROVEMENTS IN PEM FUEL CELL MATERIALS: A COMPUTATIONAL …, 2012
2012
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