Understanding Fundamental Mechanisms of Materials and Interfaces in Solid-State Batteries through Atomistic Simulations

The improvements of solid-state batteries are limited by the performances of the materials and their interfaces. We will present our recent atomistic simulation studies on the fundamental mechanisms underlying these critical materials and interfaces, in particular, what are the fundamental kinetic limitations in ion-conducting materials and solid-solid interfaces at the atomistic level. Through our atomistic level understanding, we will propose strategies for designing better materials and interfaces with faster kinetics.