The Anionic Chemistry in Regulating the Reductive Stability of Electrolytes for Lithium Metal Batteries

Nan Yao, Shu Yu Sun, Xiang Chen, Xue Qiang Zhang, Xin Shen, Zhong Heng Fu, Rui Zhang, Qiang Zhang

Research output: Contribution to journalArticlepeer-review

27 Scopus citations


Advanced electrolyte design is essential for building high-energy-density lithium (Li) batteries, and introducing anions into the Li+ solvation sheaths has been widely demonstrated as a promising strategy. However, a fundamental understanding of the critical role of anions in such electrolytes is very lacking. Herein, the anionic chemistry in regulating the electrolyte structure and stability is probed by combining computational and experimental approaches. Based on a comprehensive analysis of the lowest unoccupied molecular orbitals, the solvents and anions in Li+ solvation sheaths exhibit enhanced and decreased reductive stability compared with free counterparts, respectively, which agrees with both calculated and experimental results of reduction potentials. Accordingly, new strategies are proposed to build stable electrolytes based on the established anionic chemistry. This work unveils the mysterious anionic chemistry in regulating the structure–function relationship of electrolytes and contributes to a rational design of advanced electrolytes for practical Li metal batteries.
Original languageEnglish (US)
JournalAngewandte Chemie - International Edition
Issue number52
StatePublished - Dec 23 2022
Externally publishedYes

Bibliographical note

Generated from Scopus record by KAUST IRTS on 2023-09-21

ASJC Scopus subject areas

  • General Chemistry
  • Catalysis


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