Theory of the Double Layer in Water-in-Salt Electrolytes.
File(s)
Accepted version
Author(s)
McEldrew, Michael
Goodwin, Zachary AH
Kornyshev, Alexei A
Bazant, Martin Z
Type
Journal Article
Abstract
One challenge in developing the next generation of lithium-ion batteries is the replacement of organic electrolytes, which are flammable and most often contain toxic and thermally unstable lithium salts, with safer, environmentally friendly alternatives. Recently developed water-in-salt electrolytes (WiSEs), which are nonflammable, nontoxic, and also have enhanced electrochemical stability, are promising alternatives. In this work, we develop a simple modified Poisson-Fermi theory for WiSEs, which demonstrates the fine interplay between electrosorption, solvation, and ion correlations. The phenomenological parameters are extracted from molecular dynamics simulations, also performed here. The theory reproduces the WiSEs' electrical double-layer structure with remarkable accuracy.
Date Issued
2018-10-04
Date Acceptance
2018-09-17
Citation
Journal of Physical Chemistry Letters, 2018, 9 (19), pp.5840-5846
ISSN
1948-7185
Publisher
American Chemical Society
Start Page
5840
End Page
5846
Journal / Book Title
Journal of Physical Chemistry Letters
Volume
9
Issue
19
Copyright Statement
© 2018 American Chemical Society. This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of Physical Chemistry Letters, after peer review and technical editing by the publisher. To access the final edited and published work see https://dx.doi.org/10.1021/acs.jpclett.8b02543
Sponsor
Engineering and Physical Sciences Research Council
Identifier
https://www.ncbi.nlm.nih.gov/pubmed/30229648
Grant Number
EPSRC (EP/L015579/1)
Subjects
03 Chemical Sciences
02 Physical Sciences
Publication Status
Published
Coverage Spatial
United States
Date Publish Online
2018-09-19