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Boris Merinov
Boris Merinov
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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
14772016
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 III
Proceedings of the National Academy of Sciences 113 (14), 3735-3739, 2016
5482016
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
3062018
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
2372014
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
2352010
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
2032004
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
1802011
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
1542006
Atomistic description of ionic diffusion in PEO–LiTFSI: Effect of temperature, molecular weight, and ionic concentration
DJ Brooks, BV Merinov, WA Goddard III, B Kozinsky, J Mailoa
Macromolecules 51 (21), 8987-8995, 2018
1502018
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
1412011
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
1411989
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, 93-103, 2006
1372006
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
1282008
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
1232012
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
1222008
Quantum Mechanics Reactive Dynamics Study of Solid Li-Electrode/Li6PS5Cl-Electrolyte Interface
T Cheng, BV Merinov, S Morozov, WA Goddard III
ACS Energy Letters 2 (6), 1454-1459, 2017
1152017
Density functional simulation of the (011) surface structure
E Heifets, J Ho, B Merinov
Physical Review B—Condensed Matter and Materials Physics 75 (15), 155431, 2007
1092007
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
1091990
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
1032014
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
1032013
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