Salt concentration dependence of the mechanical properties of LiPF6/poly(propylene glycol) acrylate electrolyte at a graphitic carbon interface
A reactive molecular dynamics study
Osvalds Verners (TU Delft - Applied Mechanics)
Alexey V. Lyulin (Eindhoven University of Technology)
Angelo Simone (Università degli Studi di Padova, TU Delft - Applied Mechanics)
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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.
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