Establishing a unified framework for ion solvation and transport in liquid and solid electrolytes

Siegel, Donald J.; Nazar, Linda; Chiang, Yet-Ming; Fang, Chao; Balsara, Nitash P.

doi:10.1016/j.trechm.2021.06.004

Title: Establishing a unified framework for ion solvation and transport in liquid and solid electrolytes

Journal Article · 22 July 2021 · Trends in Chemistry

DOI: https://doi.org/10.1016/j.trechm.2021.06.004 · OSTI ID:1901907

Siegel, Donald J. ^[1]; Nazar, Linda ^[2]; Chiang, Yet-Ming ^[3]; Fang, Chao ^[4];

^[5]

Univ. of Michigan, Ann Arbor, MI (United States); Argonne National Lab. (ANL), Argonne, IL (United States). Joint Center for Energy Storage Research (JCESR)
Univ. of Waterloo, ON (Canada); Argonne National Lab. (ANL), Argonne, IL (United States). Joint Center for Energy Storage Research (JCESR)
Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Argonne National Lab. (ANL), Argonne, IL (United States). Joint Center for Energy Storage Research (JCESR)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Sciences Division; Argonne National Lab. (ANL), Argonne, IL (United States). Joint Center for Energy Storage Research (JCESR)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Sciences Division; Univ. of California, Berkeley, CA (United States); Argonne National Lab. (ANL), Argonne, IL (United States). Joint Center for Energy Storage Research (JCESR)

Electrolytes used in rechargeable batteries must enable rapid translation of the working ion between macroscopically separated electrodes. These electrolytes are, however, usually designed and synthesized using atomic-level insights. Whether the ideal electrolyte for a particular battery is a solid or a liquid remains an important unresolved question, especially as solids with conductivities comparable with liquids are discovered. Here, to help resolve such questions, we present the first steps toward a unified framework for relating atomic and continuum scale phenomena. Solvation shells in liquids are entities that translate with the working ion for a short while before they break up due to Brownian motion. By contrast, solvation cages in classical solids and polymers cannot not translate with the working ion. Mobility of the entities that make up the cages and shells, which is quantified by an order parameter, is shown to influence translation of the working ion on continuum length scales.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1901907

Journal Information:: Trends in Chemistry, Journal Name: Trends in Chemistry Journal Issue: 10 Vol. 3; ISSN 2589-5974

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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