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.

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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 ... continued below

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Merinov, Boris; Haile, Sossina & III, William A. Goddard April 30, 2005.

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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.

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  • Report No.: none
  • Grant Number: FC26-02NT41631
  • DOI: 10.2172/876771 | External Link
  • Office of Scientific & Technical Information Report Number: 876771
  • Archival Resource Key: ark:/67531/metadc876615

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  • April 30, 2005

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  • Sept. 21, 2016, 2:29 a.m.

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  • Dec. 5, 2016, 3:02 p.m.

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Merinov, Boris; Haile, Sossina & III, William A. Goddard. 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., report, April 30, 2005; United States. (digital.library.unt.edu/ark:/67531/metadc876615/: accessed September 23, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.