A Stability Model for Benzene Derivative Redox Shuttles in Lithium-Ion Batteries:Including both Bond Forming/Breaking Reactions and Reduction Reactions

A stability model is presented for the benzene derivative redox shuttles in lithium-ion batteries.This model takes both bond forming/breaking reactions and reduction reactions of redox shuttles in batteries into account and obtains a very good linear correlation between the experimental numbers of 100% shuttle-protected overcharge cycles in logarithm scale and the combined reactivity indexes,E_b(ER)+0.3E_b(Li),where the values of E_b(ER) and E_b(Li) are the binding energy of the redox shuttle cation in the model reactions with an ethyl radical (ER) and a Li atom in bulk,respectively.