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Solvation structure and energetics of electrolytes for multivalent energy storage
Saul H Lapidus1, Nav Nidhi Rajput, Xiaohui Qu
1X-ray Science Division, Advanced Photon Source, Argonne National Laboratory, Argonne, IL 60439, USA. chupas@aps.anl.gov chapmank@aps.anl.gov.
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 (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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