Theory of the Double Layer in Water-in-Salt Electrolytes
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. R...
| Main Authors: | , , , |
|---|---|
| Other Authors: | |
| Format: | Article |
| Language: | English |
| Published: |
American Chemical Society (ACS)
2021
|
| Online Access: | https://hdl.handle.net/1721.1/134714 |
| _version_ | 1826193921093402624 |
|---|---|
| author | McEldrew, Michael Goodwin, Zachary AH Kornyshev, Alexei A Bazant, Martin Z |
| author2 | Massachusetts Institute of Technology. Department of Chemical Engineering |
| author_facet | Massachusetts Institute of Technology. Department of Chemical Engineering McEldrew, Michael Goodwin, Zachary AH Kornyshev, Alexei A Bazant, Martin Z |
| author_sort | McEldrew, Michael |
| collection | MIT |
| description | 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. |
| first_indexed | 2024-09-23T09:47:24Z |
| format | Article |
| id | mit-1721.1/134714 |
| institution | Massachusetts Institute of Technology |
| language | English |
| last_indexed | 2024-09-23T09:47:24Z |
| publishDate | 2021 |
| publisher | American Chemical Society (ACS) |
| record_format | dspace |
| spelling | mit-1721.1/1347142023-02-24T21:43:08Z Theory of the Double Layer in Water-in-Salt Electrolytes McEldrew, Michael Goodwin, Zachary AH Kornyshev, Alexei A Bazant, Martin Z Massachusetts Institute of Technology. Department of Chemical Engineering Massachusetts Institute of Technology. Department of Mathematics 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. 2021-10-27T20:08:48Z 2021-10-27T20:08:48Z 2018 2019-08-13T17:55:34Z Article http://purl.org/eprint/type/JournalArticle https://hdl.handle.net/1721.1/134714 en 10.1021/ACS.JPCLETT.8B02543 Journal of Physical Chemistry Letters 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. application/pdf American Chemical Society (ACS) arXiv |
| spellingShingle | McEldrew, Michael Goodwin, Zachary AH Kornyshev, Alexei A Bazant, Martin Z Theory of the Double Layer in Water-in-Salt Electrolytes |
| title | Theory of the Double Layer in Water-in-Salt Electrolytes |
| title_full | Theory of the Double Layer in Water-in-Salt Electrolytes |
| title_fullStr | Theory of the Double Layer in Water-in-Salt Electrolytes |
| title_full_unstemmed | Theory of the Double Layer in Water-in-Salt Electrolytes |
| title_short | Theory of the Double Layer in Water-in-Salt Electrolytes |
| title_sort | theory of the double layer in water in salt electrolytes |
| url | https://hdl.handle.net/1721.1/134714 |
| work_keys_str_mv | AT mceldrewmichael theoryofthedoublelayerinwaterinsaltelectrolytes AT goodwinzacharyah theoryofthedoublelayerinwaterinsaltelectrolytes AT kornyshevalexeia theoryofthedoublelayerinwaterinsaltelectrolytes AT bazantmartinz theoryofthedoublelayerinwaterinsaltelectrolytes |