Merinov BV - Search Results

1

ReaxFF reactive force field for solid oxide fuel cell systems with application to oxygen ion transport in yttria-stabilized zirconia.

van Duin AC, Merinov BV, Jang SS, Goddard WA 3rd. van Duin AC, et al. Among authors: merinov bv. J Phys Chem A. 2008 Apr 10;112(14):3133-40. doi: 10.1021/jp076775c. Epub 2008 Mar 19. J Phys Chem A. 2008. PMID: 18348544 Free article.

2

Proton diffusion pathways and rates in Y-doped BaZrO3 solid oxide electrolyte from quantum mechanics.

Merinov B, Goddard W 3rd. Merinov B, et al. J Chem Phys. 2009 May 21;130(19):194707. doi: 10.1063/1.3122984. J Chem Phys. 2009. PMID: 19466855 Free PMC article.

3

Mechanism and kinetics of the electrocatalytic reaction responsible for the high cost of hydrogen fuel cells.

Cheng T, Goddard WA, An Q, Xiao H, Merinov B, Morozov S. Cheng T, et al. Phys Chem Chem Phys. 2017 Jan 25;19(4):2666-2673. doi: 10.1039/c6cp08055c. Phys Chem Chem Phys. 2017. PMID: 28067933

4

ReaxFF reactive force field for the Y-doped BaZrO3 proton conductor with applications to diffusion rates for multigranular systems.

van Duin AC, Merinov BV, Han SS, Dorso CO, Goddard WA 3rd. van Duin AC, et al. Among authors: merinov bv. J Phys Chem A. 2008 Nov 13;112(45):11414-22. doi: 10.1021/jp801082q. Epub 2008 Oct 17. J Phys Chem A. 2008. PMID: 18925731

5

ReaxFF Reactive Force-Field Modeling of the Triple-Phase Boundary in a Solid Oxide Fuel Cell.

Merinov BV, Mueller JE, van Duin AC, An Q, Goddard WA 3rd. Merinov BV, et al. J Phys Chem Lett. 2014 Nov 20;5(22):4039-43. doi: 10.1021/jz501891y. Epub 2014 Nov 6. J Phys Chem Lett. 2014. PMID: 26276491

6

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 3rd. Yu TH, et al. Among authors: merinov bv. J Am Chem Soc. 2011 Dec 14;133(49):19857-63. doi: 10.1021/ja2074642. Epub 2011 Nov 15. J Am Chem Soc. 2011. PMID: 22017316

7

Thermal relaxation of lithium dendrites.

Aryanfar A, Brooks DJ, Colussi AJ, Merinov BV, Goddard WA 3rd, Hoffmann MR. Aryanfar A, et al. Among authors: merinov bv. Phys Chem Chem Phys. 2015 Mar 28;17(12):8000-5. doi: 10.1039/c4cp05786d. Phys Chem Chem Phys. 2015. PMID: 25721308 Free article.

8

Dynamics of Lithium Dendrite Growth and Inhibition: Pulse Charging Experiments and Monte Carlo Calculations.

Aryanfar A, Brooks D, Merinov BV, Goddard WA 3rd, Colussi AJ, Hoffmann MR. Aryanfar A, et al. Among authors: merinov bv. J Phys Chem Lett. 2014 May 15;5(10):1721-6. doi: 10.1021/jz500207a. Epub 2014 May 2. J Phys Chem Lett. 2014. PMID: 26270373

9

Factors affecting cyclic durability of all-solid-state lithium batteries using poly(ethylene oxide)-based polymer electrolytes and recommendations to achieve improved performance.

Faglioni F, Merinov BV, Goddard WA, Kozinsky B. Faglioni F, et al. Among authors: merinov bv. Phys Chem Chem Phys. 2018 Nov 7;20(41):26098-26104. doi: 10.1039/c8cp05440a. Epub 2018 Oct 4. Phys Chem Chem Phys. 2018. PMID: 30283936

10

Interface Structure in Li-Metal/[Pyr₁₄][TFSI]-Ionic Liquid System from ab Initio Molecular Dynamics Simulations.

Merinov BV, Zybin SV, Naserifar S, Morozov S, Oppenheim J, Goddard WA 3rd, Lee J, Lee JH, Han HE, Choi YC, Kim SH. Merinov BV, et al. J Phys Chem Lett. 2019 Aug 15;10(16):4577-4586. doi: 10.1021/acs.jpclett.9b01515. Epub 2019 Jul 31. J Phys Chem Lett. 2019. PMID: 31344329

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