Origin of Li⁺ Solvation Ability of Electrolyte Solvent: Ring Strain.

ABSTRACT: Developing new organic solvents to support the use of Li metal anodes in secondary batteries is an area of great interest. In particular, research is actively underway to improve battery performance by introducing fluorine to ether solvents, as these are highly compatible with Li metal anodes because fluorine imparts high oxidative stability and relatively low Li-ion solvation ability. However, theoretical analysis of the solvation ability of organic solvents mostly focuses on the electron-withdrawing capability of fluorine. Herein, we analyze the effect of the structural characteristics of solvents on their Li⁺ ion solvation ability from a computational chemistry perspective. We reveal that the structural constraints imposed on the oxygen binding sites in solvent molecules vary

SUBMITTER: Choi J 

PROVIDER: S-EPMC10650738 | biostudies-literature | 2023 Oct

REPOSITORIES: biostudies-literature