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.
|Number of pages||13|
|Journal||Journal of Polymer Science. Part B, Polymer Physics|
|Publication status||Published - 1 May 2018|
- failure properties
- molecular dynamics
- solid polymer electrolyte
- viscoelastic properties