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Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces

Authors

  • Isabela C. Man,

    1. Center for Atomic-Scale Materials Design, Department of Physics, Technical University of Denmark, DK-2800 Kgs. Lyngby (Denmark), Fax: (+45) 4593-2399
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  • Hai-Yan Su,

    1. Center for Atomic-Scale Materials Design, Department of Physics, Technical University of Denmark, DK-2800 Kgs. Lyngby (Denmark), Fax: (+45) 4593-2399
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  • Federico Calle-Vallejo,

    1. Center for Atomic-Scale Materials Design, Department of Physics, Technical University of Denmark, DK-2800 Kgs. Lyngby (Denmark), Fax: (+45) 4593-2399
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  • Dr. Heine A. Hansen,

    1. Department of Materials Science and Engineering, Northwestern University, Evanston, Ilinois 60208 (USA)
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  • Dr. José I. Martínez,

    1. Dpto. de Física Teórica de la Materia Condensada, Universidad Autónoma de Madrid, E-28049 Madrid (Spain)
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  • Nilay G. Inoglu,

    1. Department of Chemical Engineering, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213 (USA)
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  • Prof. John Kitchin,

    1. Department of Chemical Engineering, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213 (USA)
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  • Prof. Thomas F. Jaramillo,

    1. Department of Chemical Engineering, Stanford, California, 94305-5025 (USA)
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  • Prof. Jens K. Nørskov,

    1. SLAC National Accelerator Laboratory, Stanford, California, 94025-7015 (USA), Department of Chemical Engineering, Stanford, California, 94305-5025 (USA)
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  • Jan Rossmeisl

    Corresponding author
    1. Center for Atomic-Scale Materials Design, Department of Physics, Technical University of Denmark, DK-2800 Kgs. Lyngby (Denmark), Fax: (+45) 4593-2399
    • Center for Atomic-Scale Materials Design, Department of Physics, Technical University of Denmark, DK-2800 Kgs. Lyngby (Denmark), Fax: (+45) 4593-2399
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Abstract

Trends in electrocatalytic activity of the oxygen evolution reaction (OER) are investigated on the basis of a large database of HO* and HOO* adsorption energies on oxide surfaces. The theoretical overpotential was calculated by applying standard density functional theory in combination with the computational standard hydrogen electrode (SHE) model. We showed that by the discovery of a universal scaling relation between the adsorption energies of HOO* vs HO*, it is possible to analyze the reaction free energy diagrams of all the oxides in a general way. This gave rise to an activity volcano that was the same for a wide variety of oxide catalyst materials and a universal descriptor for the oxygen evolution activity, which suggests a fundamental limitation on the maximum oxygen evolution activity of planar oxide catalysts.

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