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We work closely with academic, government and industry partners to conduct foundational and applied research that provides the groundwork for the development of transformative new energy technologies in the areas of energy storage and conversion, electrical grid, advanced materials for the energy infrastructure, science of manufacturing and water-energy nexus.

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Solvation structure and energetics of electrolytes for multivalent energy storage

Publication Type

Journal Article

Date Published

09/2014

Authors

Lapidus, Saul H., Nav Nidhi Rajput, Xiaohui Qu, Karena W. Chapman, Kristin A. Persson, Peter J. Chupas

DOI

10.1039/C4CP03015J

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

Year of Publication

2014

Organization

Applied Energy Materials Group, Energy Storage and Distributed Resources Division