Solvation structure and energetics of electrolytes for multivalent energy storage

Publication Type

Journal Article

Date Published

09/2014

Abstract

By analysing X-ray pair distribution function data using a multivariate statistical approach, we isolate the cation solvation structure for monovalent (Li+ /Na+ /K+ ) and multivalent (Mg2+/Ca2+/Zn2+) electrolytes based on TFSI salts in diglyme. Parallel molecular dynamics simulations provide enhanced structural details. The data suggest that contact ion-pairs are a common feature in multivalent electrolytes.

Journal

Physical Chemistry Chemical Physics

Year of Publication

2014

Refereed Designation

Refereed