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

Journal article (2018)

Authors

O. Verners Applied Mechanics - CEG
Alexey V. Lyulin Eindhoven University of Technology
A. Simone Applied Mechanics - CEG , Università degli Studi di Padova
Research Group
Applied Mechanics (CEG) (TU Delft)
Copyright: © 2018 O. Verners, Alexey V. Lyulin, A. Simone
DOI: https://doi.org/10.1002/polb.24584
Molecular dynamics Viscoelastic properties Failure properties Solid polymer electrolyte
More Info
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Published Date

01-05-2018

Language

English

Faculty

Civil Engineering & Geosciences

Department

Materials- Mechanics- Management & Design

Research Group

Applied Mechanics

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.