Breaking Solvation Dominance Effect Enabled by Ion-Dipole Interaction Toward Long-Spanlife Silicon Oxide Anodes in Lithium-Ion Batteries.

ABSTRACT: Micrometer-sized silicon oxide (SiO) anodes encounter challenges in large-scale applications due to significant volume expansion during the alloy/de-alloy process. Herein, an innovative deep eutectic electrolyte derived from succinonitrile is introduced to enhance the cycling stability of SiO anodes. Density functional theory calculations validate a robust ion-dipole interaction between lithium ions (Li⁺) and succinonitrile (SN). The cosolvent fluoroethylene carbonate (FEC) optimizes the Li⁺ solvation structure in the SN-based electrolyte with its weakly solvating ability. Molecular dynamics simulations investigate the regulating mechanism of ion-dipole and cation-anion interaction. The unique Li⁺ solvation structure, enriched with FEC and TFSI^-,

SUBMITTER: Dong S 

PROVIDER: S-EPMC11671450 | biostudies-literature | 2024 Dec

REPOSITORIES: biostudies-literature