Theory of the Double Layer in Water-in-Salt Electrolytes
Name
1808.06118.pdf
Description
Submitted version
Size
2.89 MB
Format
Adobe PDF
Checksum (MD5)
6bdaa91e442464dd05a8a4c9e56b9a76
Author(s)
McEldrew, Michael
Goodwin, Zachary AH
Kornyshev, Alexei A
Bazant, Martin Z
Date Issued
2018
Journal
Journal of Physical Chemistry Letters
Publisher
American Chemical Society (ACS)
Version
Original manuscript
Abstract
Copyright © 2018 American Chemical Society. 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.
MIT Department
Massachusetts Institute of Technology. Department of Chemical Engineering
Massachusetts Institute of Technology. Department of Mathematics
Terms of Use
Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use.
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DOI of Published Version
https://doi.org/10.1021/ACS.JPCLETT.8B02543
