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:
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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
Descripción
Sumario: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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