Modeling ionic conductivity and activation energy in garnet-structured solid electrolytes: The role of composition, grain boundaries and processing

Abstract

All-solid-state batteries (ASSBs) are one of the most forthcoming elements of the electrochemical energy systems of new generation. One of the most attractive perspectives of using all-solid-state batteries as the platform for energy storage is the increased safety, energy density and possible device miniaturization. During the last decades the intensive research of the solid state electrolyte materials has been observed. Among the most investigated and attractive candidates for Li-ion batteries one can distinguish the garnet-structured solid electrolytes, NASICONs, LGPS, amorphous LiPON electrolytes and argyrodites. Despite the ever-growing interest to ASSB technologies there is a room in their chemistry to be explored, particularly, concerning the aspects of the defects, lattice dynamics, strain, grain-boundaries and facet-engineering. The aim of this study is to investigate the impact of composition, grain boundaries and the synthesis on the Li-ion conductivity and activation energy values in garnet-structured solid electrolytes based on the experimental data and the results of machine learning analysis.