Bridging doping cation properties to lithium migration barriers in halide electrolytes via machine learning: the determining role of migration channel geometry

Abstract

In this study, Li⁺ migration in Li₃InCl₆ is probed via lanthanide M site doping and machine learning. Multi-scale descriptors show that doped cations modulate the migration channels, and these channels directly determine the Li⁺ migration barrier, offering a design principle for solid electrolytes.