Abstract:
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,
Eb(ER)+0.3
Eb(Li),where the values of
Eb(ER) and
Eb(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.