锂离子电池中苯衍生物氧化还原穿梭分子的一种稳定性模型:同时考虑成键/断键反应和还原反应

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

摘要: 提出了锂离子电池中苯衍生物氧化还原穿梭分子的一种稳定性模型。此模型同时考虑了电池中氧化还原穿梭分子的成键/断键反应和还原反应，在100%穿梭分子保护充电次数的实验值（用对数表示）和组合反应指数（E_b（ER）+0.3E_b（Li））之间得到了很好的线性关系，其中E_b（ER）和E_b（Li）分别是氧化还原穿梭分子阳离子在模型反应中与乙基（ER）、Li原子团中单个Li原子的结合能。

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,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.