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

Journal of Polymer Science. Part B, Polymer Physics
Osvalds VernersAngelo Simone

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.

References

Dec 22, 2009·Chemical Society Reviews·Daniel R DreyerRodney S Ruoff
Mar 25, 2014·The Journal of Chemical Physics·D V GusevaAlexey V Lyulin
Sep 10, 2016·The Journal of Chemical Physics·Dong MengGary S Grest

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