About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Chemistry and Physics of Interfaces
|
| Presentation Title |
Mechanisms for Defect Migration at Interfaces in Thin Film Oxides: Applications for Designing Next-Generation Solid Oxide Fuel Cell Electrolytes |
| Author(s) |
Anish More, William Ebmeyer, Pratik P. Dholabhai |
| On-Site Speaker (Planned) |
Pratik P. Dholabhai |
| Abstract Scope |
Oxide thin films and heterostructures are promising for energy technologies, wherein interfaces impact ionic transport. Although lattice mismatch and resulting misfit dislocations are one of the fundamental reasons for the emergence of new properties at oxide interfaces, their precise role is not well understood. Essentially, the formation and migration of oxygen vacancy defects at heterointerfaces in oxide thin films and heterostructures is central to the performance of thin film electrolytes in solid oxide fuel cells (SOFCs). To this end, we developed a high-throughput framework based on atomistic simulations to compute thousands of activation energy barriers for oxygen vacancy migration. Using this high-throughput data, we developed a kinetic lattice Monte Carlo model to trace oxygen vacancy diffusion and elucidate the fundamental atomistic mechanisms governing ionic transport at disparate oxide heterointerfaces. This work offers new opportunities to design next-generation thin film SOFC electrolytes with enhanced ionic conductivity. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Thin Films and Interfaces, Energy Conversion and Storage, Modeling and Simulation |