About this Abstract |
| Meeting |
MS&T25: Materials Science & Technology
|
| Symposium
|
Glasses and Optical Materials: Challenges, Advances, and Applications
|
| Presentation Title |
Correlating structure with ion dynamics in disordered solid-state electrolytes |
| Author(s) |
Morten M. Smedskjaer, Zhimin Chen, Tao Du |
| On-Site Speaker (Planned) |
Morten M. Smedskjaer |
| Abstract Scope |
Glasses are promising candidates as solid electrolytes for all-solid-state batteries due to their isotropic ionic conduction, formability, as well as high chemical, thermal and electrochemical stability. However, their ionic conductivity needs to be improved, which is a complicated task due to the disordered structure and non-equilibrium nature of glasses. Here, we focus on the ion dynamics in lithium thiophosphate glasses and glass-ceramics. Based on molecular dynamics simulation studies, we investigate the structural origin of the variation in ionic conductivity in the solid electrolytes with varying compositions and levels of disorder. We analyze the changes in atomic structure using classification-based machine learning in order to establish bridges between dynamical characteristics, local structural features, and atomic rearrangements. Our findings have important implications for the design of future disordered solid-state electrolytes. |