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Title: 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.

Abstract

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.

Authors:
; ;
Publication Date:
Research Org.:
California Inst. of Technology (CalTech), Pasadena, CA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
876771
DOE Contract Number:  
FC26-02NT41631
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
30 DIRECT ENERGY CONVERSION; ANODES; CATHODES; CERAMICS; COMBUSTION; COMPATIBILITY; DIFFUSION; ELECTROCATALYSTS; ELECTRODES; FABRICATION; FUEL CELLS; GLYCINE; NITRATES; OXIDES; PROGRESS REPORT; PROTONS; STABILITY

Citation Formats

Merinov, Boris, Haile, Sossina, and Goddard, III, William A. 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.. United States: N. p., 2005. Web. doi:10.2172/876771.
Merinov, Boris, Haile, Sossina, & Goddard, III, William A. 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.. United States. doi:10.2172/876771.
Merinov, Boris, Haile, Sossina, and Goddard, III, William A. Sat . "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.". United States. doi:10.2172/876771. https://www.osti.gov/servlets/purl/876771.
@article{osti_876771,
title = {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.},
author = {Merinov, Boris and Haile, Sossina and Goddard, III, William A},
abstractNote = {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.},
doi = {10.2172/876771},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2005},
month = {4}
}