Salt concentration dependence of the mechanical properties of LiPF(6)/poly(propylene glycol) acrylate electrolyte at a graphitic carbon interface: A reactive molecular dynamics study

This reactive molecular dynamics study explores the salt concentration dependence of the viscoelastic and mechanical failure properties of a poly(propylene glycol)/LiPF(6)‐based solid polymer electrolyte (SPE) at a graphitic carbon electrode interface. To account for the finite‐size effect of interf...

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Detalles Bibliográficos
Autores principales: Verners, Osvalds, Lyulin, Alexey V., Simone, Angelo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2018
Materias:
Full Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947740/
https://www.ncbi.nlm.nih.gov/pubmed/29780206
http://dx.doi.org/10.1002/polb.24584
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author Verners, Osvalds
Lyulin, Alexey V.
Simone, Angelo
author_facet Verners, Osvalds
Lyulin, Alexey V.
Simone, Angelo
author_sort Verners, Osvalds
collection PubMed
description This reactive molecular dynamics study explores the salt concentration dependence of the viscoelastic and mechanical failure properties of a poly(propylene glycol)/LiPF(6)‐based solid polymer electrolyte (SPE) at a graphitic carbon electrode interface. To account for the finite‐size effect of interface‐confined SPE films, the properties of two distinct film thicknesses are compared with the respective bulk properties. Additionally, the effect of uniaxial compression in the interface‐normal direction on free energy profiles of Li‐ion SPE‐desolvation is studied. © 2018 The Authors. Journal of Polymer Science Part B: Polymer Physics Published by Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2018, 56, 718–730
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spelling pubmed-59477402018-05-17 Salt concentration dependence of the mechanical properties of LiPF(6)/poly(propylene glycol) acrylate electrolyte at a graphitic carbon interface: A reactive molecular dynamics study Verners, Osvalds Lyulin, Alexey V. Simone, Angelo J Polym Sci B Polym Phys Full Papers This reactive molecular dynamics study explores the salt concentration dependence of the viscoelastic and mechanical failure properties of a poly(propylene glycol)/LiPF(6)‐based solid polymer electrolyte (SPE) at a graphitic carbon electrode interface. To account for the finite‐size effect of interface‐confined SPE films, the properties of two distinct film thicknesses are compared with the respective bulk properties. Additionally, the effect of uniaxial compression in the interface‐normal direction on free energy profiles of Li‐ion SPE‐desolvation is studied. © 2018 The Authors. Journal of Polymer Science Part B: Polymer Physics Published by Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2018, 56, 718–730 John Wiley and Sons Inc. 2018-03-08 2018-05-01 /pmc/articles/PMC5947740/ /pubmed/29780206 http://dx.doi.org/10.1002/polb.24584 Text en © 2018 The Authors. Journal of Polymer Science Part B: Polymer Physics Published by Wiley Periodicals, Inc. This is an open access article under the terms of the http://creativecommons.org/licenses/by-nc-nd/4.0/ License, which permits use and distribution in any medium, provided the original work is properly cited, the use is non‐commercial and no modifications or adaptations are made.
spellingShingle Full Papers
Verners, Osvalds
Lyulin, Alexey V.
Simone, Angelo
Salt concentration dependence of the mechanical properties of LiPF(6)/poly(propylene glycol) acrylate electrolyte at a graphitic carbon interface: A reactive molecular dynamics study
title Salt concentration dependence of the mechanical properties of LiPF(6)/poly(propylene glycol) acrylate electrolyte at a graphitic carbon interface: A reactive molecular dynamics study
title_full Salt concentration dependence of the mechanical properties of LiPF(6)/poly(propylene glycol) acrylate electrolyte at a graphitic carbon interface: A reactive molecular dynamics study
title_fullStr Salt concentration dependence of the mechanical properties of LiPF(6)/poly(propylene glycol) acrylate electrolyte at a graphitic carbon interface: A reactive molecular dynamics study
title_full_unstemmed Salt concentration dependence of the mechanical properties of LiPF(6)/poly(propylene glycol) acrylate electrolyte at a graphitic carbon interface: A reactive molecular dynamics study
title_short Salt concentration dependence of the mechanical properties of LiPF(6)/poly(propylene glycol) acrylate electrolyte at a graphitic carbon interface: A reactive molecular dynamics study
title_sort salt concentration dependence of the mechanical properties of lipf(6)/poly(propylene glycol) acrylate electrolyte at a graphitic carbon interface: a reactive molecular dynamics study
topic Full Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947740/
https://www.ncbi.nlm.nih.gov/pubmed/29780206
http://dx.doi.org/10.1002/polb.24584
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