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

16 August 2022, Version 1
This content is a preprint and has not undergone peer review at the time of posting.

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 electrolytes and argyrodites. Despite the ever-growing interest to ASSB technologies there is a room in their chemistry to be explored especially concerning the aspects of the defects, vibrational characteristics, strain- and facet-engineering effects. The aim of this study is to investigate the possible role of composition, disorder and the synthesis details on the Li-ion conductivity and activation energies in garnet-structured solid electrolytes.

Keywords

solid electrolytes
garnets
ionic conductivity
materials informatics
grain boundaries

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