Enhanced Power Stability for Proton Conducting Solid Oxides Fuel Cells. Calculated energy barriers for proton diffusion in Y-doped BaZrO3. Potential electrode materials for application in proton ceramic fuel cells.
A series of Quantum Mechanical (QM) calculations on Y-doped BaZrO{sub 3} (BYZ) periodic structures have been performed and calculated energy barriers for the intra-octahedra and inter-octahedra proton transfer have been found. The inter-octahedra proton transfer dominates in the BYZ electrolyte. Several potential cathode materials for the Y-doped BaZrO{sub 3} system were synthesized via glycine nitrate combustion method. Of the five potential cathode materials examined BaZr{sub 0.40}Pr{sub 0.40}Gd{sub 0.20}O{sub 3} and BaZr{sub 0.60}Y{sub 0.20}Co{sub 0.20}O{sub 3} appear to be the most promising for further applications in proton ceramic fuel cells (PCFCs). Potential anode electrocatalysts (metals) have been screened for reactivity with BaZr{sub 1-x}Y{sub x}O{sub 3-d}, fabrication compatibility, and chemical stability in fuel cell environment.
- Research Organization:
- California Institute of Technology (CalTech), Pasadena, CA (United States)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- FC26-02NT41631
- OSTI ID:
- 876771
- Country of Publication:
- United States
- Language:
- English
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Enhanced Power Stability for Proton Conducting Solid Oxides Fuel Cells
DEVELOPING FIRST-PRINCIPLES REACTIVE FORCE FIELDS AND DENSIFICATION PROCESS FOR Y-DOPED BaZrO3 PROTON-CONDUCTING CERAMICS