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 | 235 | 2010 |
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 | 174 | 2011 |
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 | 174 | 2011 |
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 | 140 | 2011 |
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 | 99 | 2013 |
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 | 97 | 2014 |
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 | 75 | 2012 |
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 | 67 | 2010 |
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 | 43 | 2014 |
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 | 43 | 2005 |
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 | 42 | 2014 |
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 | 35 | 2013 |
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 | 34 | 2012 |
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 | 6 | 2010 |
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 | 2 | 2011 |
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 |