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First-principles calculations of oxidation potentials of electrolytes in lithium–sulfur batteries and their variations with changes in environment

Oxidation potentials of electrolyte molecules in Li–sulfur (Li/S) batteries and their variations in various solvent environments are investigated using first-principles calculations in order to understand oxidative decomposition reactions of electrolytes for cathode passivation. Electrolyte solvents, Li salts, and

Authors:   Jaebeom Han; Perla B. Balbuena
Journal:   Physical Chemistry Chemical Physics
DOI:   10.1039/C8CP02912A
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