总结了近年来量子化学方法在锂离子电池电解液研究中的应用进展,阐述了量子化学方法在新型锂盐设计、功能添加剂作用机理分析和电极/电解液界面膜的形成过程研究中发挥的作用,对其用来设计锂离子电池电解液功能分子作出展望。
The research developments of quantum chemistry method on Li-ion battery electrolyte in decades were summered. The important functions of quantum chemistry on investigating novel lithium salt,analyzing the affection of functional additives and exploring the formation process of the interface between electrode and electrolyte were clarified. The application prospects,which dealing with functional molecular designs by quantum chemistry,were proposed.