Solvation structure and energetics of electrolytes for multivalent energy storage.
نویسندگان
چکیده
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 (Mg(2+)/Ca(2+)/Zn(2+)) 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.
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ورودعنوان ژورنال:
- Physical chemistry chemical physics : PCCP
دوره 16 40 شماره
صفحات -
تاریخ انتشار 2014