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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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Publication details

The article was received on 09 Jul 2014, accepted on 29 Aug 2014 and first published on 10 Sep 2014


Article type: Communication
DOI: 10.1039/C4CP03015J
Phys. Chem. Chem. Phys., 2014,16, 21941-21945

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    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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