Predicting pH dependencies of electrode surface reactions in electrocatalysis |
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| Institution: | 1. University Medical Center, Utrecht, The Netherlands;2. Research Center Military Mental Health Care, Utrecht, The Netherlands;3. Utrecht University, Utrecht, The Netherlands;4. University of Cape Town, Cape Town, South Africa;5. Foundation Arq, Diemen, The Netherlands;1. Université de Strasbourg, Faculté de Chirurgie Dentaire, 8 rue Sainte Elisabeth, 67000 Strasbourg, France;2. Institut National de la Santé et de la Recherche Médicale, Unité mixte de Recherche 1121, 11 rue Humann, 67085 Strasbourg Cedex, France;1. Consiglio per la Ricerca e la Sperimentazione in Agricoltura [CRA-RPS, Research Centre for the Soil–Plant System] Via della Navicella 2-4, 00184 Rome, Italy;2. Department of Food Science, University of Bologna, Piazza Goidanich 60, Cesena 47023, FC, Italy;3. DG Joint Research Centre, Institute for Environment and Sustainability (IES), Via E. Fermi 2749, 21027 Ispra, VA, Italy;1. Department of Chemistry, Jadavpur University, Kolkata 700 032, India;2. Indian Institute of Technology, Kharagpur, Paschim Medinipur, 721302, India;3. Department of Chemistry, Faculty of Science, Tokyo University of Science, 1-3 Kagurazaka, Shinjuku-ku, Tokyo 162-8601, Japan;1. Thermodynamics, Ruhr University Bochum, 44780 Bochum, Germany;2. Applied Thermodynamics, Chemnitz University of Technology, 09126 Chemnitz, Germany |
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| Abstract: | It is shown how to adopt the Nernst equation to electrode potential-dependent Gibbs energies, calculated for reactants and products from density functional theory, to make predictions of reversible potentials for redox reactions on electrode surfaces in electrolytes of any pH. The theory is general because any spectator species may be included in electrochemical interface. We demonstrate its application to H and OH deposition on Pt(111). |
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