Solvation structure and energetics of electrolytes for multivalent energy storage

Date Published
09/2014
Publication Type
Journal Article
Authors
DOI
10.1039/C4CP03015J
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
Organizations
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