Thursday, 3 November 2005 - 2:10 PM
510f
Thermodynamic Guidelines for Determining Efficient Oxygen-Reduction Catalysts
Perla B. Balbuena1, Yixuan Wang
1, Sergio R. Calvo
1, Luis A. Agapito
2, Liuming Yan
1, and Jorge M. Seminario
2. (1) Department of Chemical Engineering, Texas A&M University, College Station, TX 77843, (2) Department of Chemical Engineering and Department of Electrical Engineering, Texas A&M University, College Station, TX 77843
Thermodynamic analyses of the individual reaction steps for oxygen reduction on transition metal catalysts permit to identify suitable combinations of elements which facilitate the overall oxygen reduction reaction. We discuss the methodology and the predictions obtained for a series of systems, some of them (such as Pt3Co, and Pt3Ni) already found experimentally.
See more of #510 - Molecular Simulation and Computation of Fuel Cells and Electrochemistry I (21021)
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