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Ab initio studies of metal-doped ceria for Solid Oxide Fuel Cells Anode Electrocatalysts

Ab initio studies of metal-doped ceria for Solid Oxide Fuel Cells Anode Electrocatalysts Michael J. Janik Dept. of Chemical Engineering Pennsylvania State University.

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Ab initio studies of metal-doped ceria for Solid Oxide Fuel Cells Anode Electrocatalysts

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  1. Ab initio studies of metal-doped ceria for Solid Oxide Fuel Cells Anode Electrocatalysts Michael J. Janik Dept. of Chemical Engineering Pennsylvania State University Incorporation of noble metals in the low energy surface of ceria can provide enhanced activity for methane activation. Single Pd atoms are stable incorporated in the surface over certain T, PO2 ranges and are more active for C-H dissociation. Pd-CeO2(111) CeO2(111) can reconstruct about incorporated Pd to offer the Pd4+, d6 metal a stable octahedral coordination Pd doped into the CeO2 surface provides a more reducible metal center, enhancing C-H activation

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