| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
Materials for Sustainable Hydrogen Energy
|
| Presentation Title |
Effect of Y Doping on Proton Conductivity of BaCo0.4Fe0.4Zr0.2-xYxO3-Δ (BCFZY) Proton Ceramic Fuel Cell (PCFC) Cathodes |
| Author(s) |
Chiyoung Kim |
| On-Site Speaker (Planned) |
Chiyoung Kim |
| Abstract Scope |
Protonic ceramic fuel cells (PCFCs) were designed to operate at lower temperatures (400–700°C) than solid oxide fuel cells (SOFCs, 800–1000°C), aiming to avoid severe challenges of SOFCs including material degradation and reduced energy conversion efficiency. However, current PCFC performance still falls short of the SOFC performance due to sluggish oxygen reduction reaction (ORR) kinetics at the cathode. Enhancing the reaction kinetics necessitates the development of a cathode with high proton conductivity. Doping with yttrium (Y) in perovskite material has been a potential solution for enhancing proton conductivity in cathode materials. Our study examined effect of Y doping on BCFZY's proton conductivity using density functional theory (DFT) and thermodynamic defect models. Results indicate Y doping slightly impacts proton diffusion, alters proton uptake, and increases hydrogen concentration. This study provides insights for designing high-performance BCFZY materials or perovskite materials for PCFCs that contain redox-inactive acceptor dopants like Y. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Energy Conversion and Storage, Computational Materials Science & Engineering, Modeling and Simulation |