固态电解质的理论计算与实验研究进展述评

A review of theoretical calculation and experimental research progress of solid electrolytes

摘要:

固态电解质是固态电池的核心材料，而当前应用的固态电解质可以分为聚合物、氧化物和硫化物三种体系．在固态电解质的理论计算中，它的研究对象主要是无机固态电解质材料，也就是氧化物固态电解质和硫化物固态电解质．阐述了氧化物和硫化物固态电解质在理论计算和实验研究方面的进展，以期加深对固态电解质传输机理的认识，为开发和设计新型的固态电解质提供思路和参考．最后，对第一性原理计算在开发新型固态电解质方面的应用提出了展望．

Abstract:

Solid-state electrolyte is the core material of solid-state batteries, and currently used solid-state electrolytes can be divided into three systems: polymer, oxide and sulfide. In the theoretical calculation of solid electrolyte, its research object is mainly inorganic solid electrolyte materials, that is, oxide solid electrolytes and sulfide solid electrolytes. The progress of oxide and sulfide solid electrolytes in theoretical calculations and experimental research is described, in order to deepen the understanding of the transport mechanism of solid electrolytes, and provide ideas and references for the development and design of new solid electrolytes. Finally, the application of firstprinciples calculations in the development of new solid electrolytes is proposed.