| 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 | 784 | 2016 |
| Origin of low sodium capacity in graphite and generally weak substrate binding of Na and Mg among alkali and alkaline earth metals Y Liu, BV Merinov, WA Goddard Proceedings of the National Academy of Sciences 113 (14), 3735-3739, 2016 | 239 | 2016 |
| 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 | 181 | 2010 |
| Structure of copper-potassium hexacyanoferrate (II) and sorption mechanisms of cesium C Loos-Neskovic, S Ayrault, V Badillo, B Jimenez, E Garnier, M Fedoroff, ... Journal of solid state chemistry 177 (6), 1817-1828, 2004 | 150 | 2004 |
| Multi-paradigm multi-scale simulations for fuel cell catalysts and membranes W Goddard III, B Merinov, A Van Duin, T Jacob, M Blanco, V Molinero, ... Molecular Simulation 32 (3-4), 251-268, 2006 | 135 | 2006 |
| Dynamics of lithium dendrite growth and inhibition: Pulse charging experiments and Monte Carlo calculations A Aryanfar, D Brooks, BV Merinov, WA Goddard III, AJ Colussi, ... The journal of physical chemistry letters 5 (10), 1721-1726, 2014 | 134 | 2014 |
| Fast proton transport in crystals with a dynamically disordered hydrogen bond network AI Baranov, BV Merinov, AV Tregubchenko, VP Khiznichenko, ... Solid State Ionics 36 (3-4), 279-282, 1989 | 128 | 1989 |
| 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 | 125 | 2011 |
| Development of the ReaxFF reactive force field for mechanistic studies of catalytic selective oxidation processes on BiMoO x WA Goddard, A Van Duin, K Chenoweth, MJ Cheng, S Pudar, J Oxgaard, ... Topics in Catalysis 38 (1-3), 93, 2006 | 115 | 2006 |
| 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 | 110 | 2011 |
| Crystal structure and mechanism of proton conductivity of superionic phase Cs3H(SeO4)2 BV Merinov, AI Baranov, LA Shuvalov Kristallografiya 35 (2), 355-360, 1990 | 102 | 1990 |
| ReaxFF Reactive Force Field for the Y-Doped BaZrO3 Proton Conductor with Applications to Diffusion Rates for Multigranular Systems ACT Van Duin, BV Merinov, SS Han, CO Dorso, WA Goddard Iii The Journal of Physical Chemistry A 112 (45), 11414-11422, 2008 | 92 | 2008 |
| ReaxFF reactive force field for solid oxide fuel cell systems with application to oxygen ion transport in yttria-stabilized zirconia ACT Van Duin, BV Merinov, SS Jang, WA Goddard The Journal of Physical Chemistry A 112 (14), 3133-3140, 2008 | 90 | 2008 |
| Explanation of dramatic pH-dependence of hydrogen binding on noble metal electrode: Greatly weakened water adsorption at high pH T Cheng, L Wang, BV Merinov, WA Goddard III Journal of the American Chemical Society 140 (25), 7787-7790, 2018 | 89 | 2018 |
| 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 | 82 | 2013 |
| Proton diffusion pathways and rates in Y-doped solid oxide electrolyte from quantum mechanics B Merinov, W Goddard III The Journal of chemical physics 130 (19), 194707, 2009 | 74 | 2009 |
| Density functional simulation of the (011) surface structure E Heifets, J Ho, B Merinov Physical Review B 75 (15), 155431, 2007 | 69 | 2007 |
| 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 | 67 | 2012 |
| 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 | 63 | 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 | 62 | 2010 |
William A GoddardProfessor Chemistry, Materials Science, Applied PhysicsVerified email at caltech.edu
