Nature Communications (Jul 2019)

Role of solvent-anion charge transfer in oxidative degradation of battery electrolytes

  • Eric R. Fadel,
  • Francesco Faglioni,
  • Georgy Samsonidze,
  • Nicola Molinari,
  • Boris V. Merinov,
  • William A. Goddard III,
  • Jeffrey C. Grossman,
  • Jonathan P. Mailoa,
  • Boris Kozinsky

DOI
https://doi.org/10.1038/s41467-019-11317-3
Journal volume & issue
Vol. 10, no. 1
pp. 1 – 10

Abstract

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Based on computations, the authors show that voltage stability of battery electrolytes is determined not by a single component but by formation of charge transfer complexes between salt anions and solvent molecules. A physical model is proposed and validated on several common electrolyte compositions.