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Computational Investigation of Mixed Anion Effect on Lithium Coordination and Transport in Salt Concentrated Ionic Liquid Electrolytes
journal contribution
posted on 2019-01-01, 00:00 authored by Fangfang ChenFangfang Chen, Maria ForsythMaria ForsythCopyright © 2019 American Chemical Society. The use of high concentrations of alkali metal ion salts in ionic liquids (ILs) has been demonstrated to significantly improve electrolyte performance, increase alkali metal ion transference numbers, and promote the formation of favorable SEI structures enabling long-term stable cycling. One challenge in using this material is the overall low ionic conductivity, which is a common effect of increased salt concentration. This simulation work first investigated the strategy of using mixed anions to tune the ionic conductivity in a concentrated IL (or "ionic liquid-in-salt") system having 50 mol % lithium salt. The effects of binding strength, size, and mobility of selected anions on coordination and dynamics of lithium ions were discussed. The results confirm its feasibility and provide general guidance for the selection of anions to improve the ionic conductivity of salt-concentrated electrolyte systems based on ionic liquids and other solvent systems.
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Journal
Journal of Physical Chemistry LettersVolume
10Issue
23Pagination
7414 - 7420Publisher
ACS PublicationsLocation
Washington, D.C.Publisher DOI
eISSN
1948-7185Language
engPublication classification
C1 Refereed article in a scholarly journalUsage metrics
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Science & TechnologyPhysical SciencesTechnologyChemistry, PhysicalNanoscience & NanotechnologyMaterials Science, MultidisciplinaryPhysics, Atomic, Molecular & ChemicalChemistryScience & Technology - Other TopicsMaterials SciencePhysicsIN-SALTSUPERCONCENTRATED ELECTROLYTESBATTERY ELECTROLYTESPHYSICOCHEMICAL PROPERTIESELECTROCHEMICAL STABILITYINTERFACIAL STRUCTUREPOLYMER ELECTROLYTESTRANSFERENCE NUMBERDYNAMICSSODIUM
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