| Ultrafine jagged platinum nanowires enable ultrahigh mass activity for the oxygen reduction reaction M Li, Z Zhao, T Cheng, A Fortunelli, CY Chen, R Yu, Q Zhang, L Gu, ... Science 354 (6318), 1414-1419, 2016 | 1505 | 2016 |
| Electrochemical performance of lithium/sulfur cells with three different polymer electrolytes D Marmorstein, TH Yu, KA Striebel, FR McLarnon, J Hou, EJ Cairns Journal of Power Sources 89 (2), 219-226, 2000 | 603 | 2000 |
| 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 | 236 | 2010 |
| Reaction mechanism and kinetics for CO2 reduction on nickel single atom catalysts from quantum mechanics MD Hossain, Y Huang, TH Yu, WA Goddard III, Z Luo Nature communications 11 (1), 2256, 2020 | 184 | 2020 |
| 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 | 184 | 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 | 142 | 2011 |
| Using photoelectron spectroscopy and quantum mechanics to determine d-band energies of metals for catalytic applications T Hofmann, TH Yu, M Folse, L Weinhardt, M Bär, Y Zhang, BV Merinov, ... The Journal of Physical Chemistry C 116 (45), 24016-24026, 2012 | 126 | 2012 |
| 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 | 105 | 2014 |
| 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 | 103 | 2013 |
| 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 | 78 | 2012 |
| Unraveling structural models of graphite fluorides by density functional theory calculations SS Han, TH Yu, BV Merinov, ACT Van Duin, R Yazami, WA Goddard III Chemistry of Materials 22 (6), 2142-2154, 2010 | 78 | 2010 |
| DFT study of oxygen reduction reaction on Os/Pt core–shell catalysts validated by electrochemical experiment HC Tsai, YC Hsieh, TH Yu, YJ Lee, YH Wu, BV Merinov, PW Wu, SY Chen, ... Acs Catalysis 5 (3), 1568-1580, 2015 | 74 | 2015 |
| 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 | 70 | 2010 |
| Oxygen reduction characteristics of graphite electrodes modified with cobalt di-quinolyldiamine derivatives T Okada, M Yoshida, T Hirose, K Kasuga, T Yu, M Yuasa, I Sekine Electrochimica acta 45 (27), 4419-4429, 2000 | 50 | 2000 |
| 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 | 43 | 2014 |
| 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 | 39 | 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 | 36 | 2013 |
| Low temperature synthesis of new highly graphitized N-doped carbon for Pt fuel cell supports, satisfying DOE 2025 durability standards for both catalyst and support HY Lee, HY Ted, CH Shin, A Fortunelli, SG Ji, Y Kim, TH Kang, BJ Lee, ... Applied Catalysis B: Environmental 323, 122179, 2023 | 34 | 2023 |
| The oxygen reduction reaction on graphene from quantum mechanics: comparing armchair and zigzag carbon edges Q Ly, BV Merinov, H Xiao, WA Goddard III, TH Yu The Journal of Physical Chemistry C 121 (44), 24408-24417, 2017 | 34 | 2017 |
| 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 |
