Hyperconjugation-controlled molecular conformation weakens lithium-ion solvation and stabilizes lithium metal anodes.

ABSTRACT: Tuning the solvation structure of lithium ions via electrolyte engineering has proven effective for lithium metal (Li) anodes. Further advancement that bypasses the trial-and-error practice relies on the establishment of molecular design principles. Expanding the scope of our previous work on solvent fluorination, we report here an alternative design principle for non-fluorinated solvents, which potentially have reduced cost, environmental impact, and toxicity. By studying non-fluorinated ethers systematically, we found that the short-chain acetals favor the [gauche, gauche] molecular conformation due to hyperconjugation, which leads to weakened monodentate coordination with Li⁺. The dimethoxymethane electrolyte showed fast activation to >99% coulombic effic

SUBMITTER: Chen Y 

PROVIDER: S-EPMC11575589 | biostudies-literature | 2024 Dec

REPOSITORIES: biostudies-literature