Solvation structure and energetics of electrolytes for multivalent energy storage
Date Published |
09/2014
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Publication Type | Journal Article
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Authors | |
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DOI |
10.1039/C4CP03015J
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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. |
Journal |
Physical Chemistry Chemical Physics
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Year of Publication |
2014
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Refereed Designation |
Refereed
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Organizations | |
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