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Salt concentration dependence of the mechanical properties of LiPF6/poly(propylene glycol) acrylate electrolyte at a graphitic carbon interface: A reactive molecular dynamics study.

ABSTRACT: This reactive molecular dynamics study explores the salt concentration dependence of the viscoelastic and mechanical failure properties of a poly(propylene glycol)/LiPF6-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.

SUBMITTER: Verners O 

PROVIDER: S-EPMC5947740 | biostudies-literature | 2018 May

REPOSITORIES: biostudies-literature

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

Verners Osvalds O   Lyulin Alexey V AV   Simone Angelo A  

Journal of polymer science. Part B, Polymer physics 20180308 9

This reactive molecular dynamics study explores the salt concentration dependence of the viscoelastic and mechanical failure properties of a poly(propylene glycol)/LiPF<sub>6</sub>-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-nor  ...[more]

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