| 1 |
Comparing the oxygen reduction reaction on selectively edge halogen doped graphene from quantum mechanics
Humphrey N, Rodriguez R, Arias G, Thai E, Muro E, Merinov BV, Goddard WA, Yu TH
Journal of Catalysis, 381, 295, 2020 |
| 2 |
Explanation of Dramatic pH-Dependence of Hydrogen Binding on Noble Metal Electrode: Greatly Weakened Water Adsorption at High pH
Cheng T, Wang L, Merinov BV, Goddard WA
Journal of the American Chemical Society, 140(25), 7787, 2018 |
| 3 |
Atomistic Description of Ionic Diffusion in PEO-LiTFSI: Effect of Temperature, Molecular Weight, and Ionic Concentration
Brooks DJ, Merinov BV, Goddard WA, Kozinsky B, Mailoa J
Macromolecules, 51(21), 8987, 2018 |
| 4 |
Elucidating challenges of reactions with correlated reactant and product binding energies on an example of oxygen reduction reaction
Yu TH, Torres R, Merinov BV, Goddard WA
Journal of Molecular Catalysis A-Chemical, 423, 449, 2016 |
| 5 |
Ultrafine jagged platinum nanowires enable ultrahigh mass activity for the oxygen reduction reaction
Li MF, Zhao ZP, Cheng T, Fortunelli A, Chen CY, Yu R, Zhang QH, Gu L, Merinov BV, Lin ZY, Zhu EB, Yu T, Jia QY, Guo JH, Zhang L, Goddard WA, Huang Y, Duan XF
Science, 354(6318), 1414, 2016 |
| 6 |
Dealloyed Pt2Os nanoparticles for enhanced oxygen reduction reaction in acidic electrolytes
Lee YJ, Hsieh YC, Tsai HC, Lu IT, Wu YH, Yu TH, Lee JF, Merinov BV, Goddard WA, Wu PW
Applied Catalysis B: Environmental, 150, 636, 2014 |
| 7 |
Computational modeling of structure and OH-anion diffusion in quaternary ammonium polysulfone hydroxide - Polymer electrolyte for application in electrochemical devices
Merinov BV, Goddard WA
Journal of Membrane Science, 431, 79, 2013 |
| 8 |
The effect of different environments on Nafion degradation: Quantum mechanics study
Yu TH, Liu WG, Sha Y, Merinov BV, Shirvanian P, Goddard WA
Journal of Membrane Science, 437, 276, 2013 |
| 9 |
Mechanism for Degradation of Nafion in PEM Fuel Cells from Quantum Mechanics Calculations
Yu TH, Sha Y, Liu WG, Merinov BV, Shirvanian P, Goddard WA
Journal of the American Chemical Society, 133(49), 19857, 2011 |
| 10 |
ReaxFF reactive force field for solid oxide fuel cell systems with application to oxygen ion transport in yttria-stabilized zirconia
van Duin ACT, Merinov BV, Jang SS, Goddard WA
Journal of Physical Chemistry A, 112(14), 3133, 2008 |
