Interfacial Electron Transfer and Ion Solvation in the Solid Electrolyte Interphase

نویسندگان

چکیده

As a chemically and structurally well-defined model for redox processes in the solid electrolyte interphase of battery electrodes, we investigate electron transfer (ET) to lithium ions at interface between platinum metal anode polymer electrolyte. Studied electrolytes include LiTFSI (lithium bis(trifluoromethane)sulfonimide) salts polyethylene oxide poly(diethylene oxide-alt-oxymethylene), as well associated liquid 1,2-dimethoxyethane tetraglyme. Atomic-resolution simulations are performed with constant-potential polarizable electrodes characterize interfacial ET kinetics, including lithium-ion solvation structures solvent reorganization effects function applied electrode potential. The linear-response assumptions Marcus theory found be robust these systems, yet ion-solvation behavior is strikingly dependent on chain connectivity, environment, magnitude potential, resulting very different kinetics electroreduction.

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ژورنال

عنوان ژورنال: Journal of Physical Chemistry C

سال: 2021

ISSN: ['1932-7455', '1932-7447']

DOI: https://doi.org/10.1021/acs.jpcc.0c11194