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Insights into the transport of alkali metal ions doped into a plastic crystal electrolyte

journal contribution
posted on 14.04.2015, 00:00 authored by Fangfang ChenFangfang Chen, Jenny PringleJenny Pringle, Maria ForsythMaria Forsyth
The application of organic ionic plastic crystals (OIPCs) as a new class of solid electrolyte for energy storage devices such as lithium batteries and, more recently, sodium batteries is attracting increasing attention. Key to this is achieving sufficient target ion transport through the material. This requires fundamental understanding of the structure and dynamics of OIPCs that have been doped with the necessary lithium or sodium salts. Here we report, for the first time, the atomic level structure and transport of both lithium and sodium ions in the plastic crystalline phases of an OIPC diethyl(methyl)(isobutyl)phosphonium hexafluorophosphate. These molecular dynamics simulations reveal two types of coordination geometries of the alkali metal ion first solvation shells, which cooperate closely with the metal ion hopping motion. The significantly different ion migration rates between two metal ion doped systems could also be related to the differences in solvation structures.

History

Journal

Chemistry of materials

Volume

27

Issue

7

Pagination

2666 - 2672

Publisher

American Chemical Society

Location

Washington, D.C

ISSN

0897-4756

eISSN

1520-5002

Language

eng

Publication classification

C Journal article; C1 Refereed article in a scholarly journal

Copyright notice

2015, American Chemical Society