Ternary Solid Polymer Electrolytes at the Electrochemical Interface: A Computational Study.

ABSTRACT: Polymer-based solid-like gel electrolytes have emerged as a promising alternative to improve battery performance. However, there is a scarcity of studies on the behavior of these media at the electrochemical interface. In this work, we report classical MD simulations of ternary polymer electrolytes composed of poly(ethylene oxide), a lithium salt [lithium bis(trifluoromethanesulfonyl)imide], and different ionic liquids [1-butyl-1-methylpyrrolidinium bis(trifluoromethanesulfonyl)imide and 1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide] confined between two charged and uncharged graphene-like surfaces. The molecular solvation of Li⁺ ions and their diffusion as well as the polymer conformational picture were characterized in terms of the radial distribution function

SUBMITTER: Rivera-Pousa A 

PROVIDER: S-EPMC11100289 | biostudies-literature | 2024 May

REPOSITORIES: biostudies-literature