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Issue 40, 2014
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Solvation structure and energetics of electrolytes for multivalent energy storage

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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.

Graphical abstract: Solvation structure and energetics of electrolytes for multivalent energy storage

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Article information


Submitted
09 Jul 2014
Accepted
29 Aug 2014
First published
10 Sep 2014

Phys. Chem. Chem. Phys., 2014,16, 21941-21945
Article type
Communication

Solvation structure and energetics of electrolytes for multivalent energy storage

S. H. Lapidus, N. N. Rajput, X. Qu, K. W. Chapman, K. A. Persson and P. J. Chupas, Phys. Chem. Chem. Phys., 2014, 16, 21941
DOI: 10.1039/C4CP03015J

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