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.

Merinov, Boris ; Haile, Sossina ; III, William A. Goddard

California Institute of Technology

关键词: Electrocatalysts;    Combustion;    Diffusion;    Cathodes;    Nitrates;   

DOI  :  10.2172/876771
RP-ID  :  none
RP-ID  :  FC26-02NT41631
RP-ID  :  876771

美国|英语

来源: UNT Digital Library

【 摘 要 】

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.