Reaction Mechanism of FePS 3 Electrodes in All-Solid-State Lithium Secondary Batteries Using Sulfide-Based Solid Electrolytes

Abstract

In this study, we investigated the reaction mechanism of the FePS3 electrode in all-solid-state lithium secondary batteries that utilized sulfide-based solid electrolytes by X-ray diffraction patterns, X-ray absorption spectra, Raman spectra, and density-functional theory (DFT) calculations. In discharge-charge measurements, the reversible discharge-charge reaction (FePS3 + xLi(+) + xe(-) reversible arrow LixFePS3, 0