计算模拟辅助研究锂离子电池用氯化物固态电解质

Computational simulation-assisted research on chloride solid electrolytes for lithium-ion batteries

传统有机液态锂离子电池由于存在易变形、易短路等现象,容易发生瞬时热失控,导致燃烧甚至爆炸等较大的安全事故.而固态电池具有出色的安全性,有望从根本上解决这一问题.近年来,计算模拟在固态电解质的开发研究中越来越普及,这种计算辅助实验的方式在很大程度上促进了电解质的发展.本文介绍了属于卤化物电解质范畴的氯化物固态电解质在计算模拟辅助下的最新研究进展,对氯化物固态电解质的发展历程进行了概述,并对其制备方法、阴阳离子调控改性、结构调控优化以及对温度、湿度以及电极材料等方面的稳定性问题进行了系统阐述.最后,对氯化物固态电解质依旧面临的问题进行了总结分析,并进一步对其未来的发展方向做出了展望.

Due to the phenomenon of easy deformation and short circuit of traditional organic liquid lithium-ion batteries, instantaneous thermal runaway occurs, resulting in combustion and even explosion. Solid-state batteries, with their excellent safety, can fundamentally solve this problem. In recent years, computational simulation has become more and more popular in the development and research of solid electrolyte, and this way of computation-assisted experiment has greatly promoted the development of electrolyte. This paper introduces the latest progress in the research of chloride electrolyte, which belongs to the category of halide electrolyte. The development process of chloride solid electrolyte is reviewed. The preparation method, modification of anion and cation regulation, optimization of structure regulation and stability of temperature, humidity and electrode material are also discussed. Finally, the problems facing the chloride solid electrolyte are summarized and analyzed, and the future development direction of the chloride solid electrolyte is further proposed.