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.

doi:https://doi.org/10.2172/876771

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.

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

Publication Date:: 2005-04-30

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

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                    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.

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                    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.  https://doi.org/10.2172/876771

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                    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.  https://doi.org/10.2172/876771.  https://www.osti.gov/servlets/purl/876771.

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@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},

  url          = {https://www.osti.gov/biblio/876771},
  journal      = {},
number       = ,

  volume       = ,

  place        = {United States},

  year         = {2005},

  month        = {4}

}

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