Revealing the effect of grain boundary segregation on Li ion transport in polycrystalline anti-perovskite Li<sub>3</sub>ClO: a phase field study
Kun Shen, Yixuan Wang, Jun Zhang, Yi Zong, Gengwei Li, Changchun Zhao, Hao Chen
Abstract
ClO. The results show that defect segregation, which varies significantly with the GB orientation, reinforces the negative contribution of GBs on the overall ionic diffusivity by approximately one-order of magnitude. This study could help improve the fundamental understanding of ionic transport in polycrystalline SSEs, and provide guidance for the design of new SSEs with excellent ionic conductivity.
Topics & Concepts
Grain boundaryVacancy defectCrystallitePerovskite (structure)Phase (matter)DiffusionCondensed matter physicsThermal diffusivityGrain boundary diffusion coefficientMaterials scienceGrain sizeCrystallographyChemistryThermodynamicsMicrostructureMetallurgyPhysicsOrganic chemistryAdvancements in Battery MaterialsAdvanced Battery Materials and TechnologiesThermal Expansion and Ionic Conductivity