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O: Fachverband Oberflächenphysik

O 59: Oxide and Insulator Interfaces II

O 59.2: Talk

Wednesday, March 20, 2024, 15:15–15:30, MA 144

Crystal-facet-dependent surface transformation dictates the oxygen evolution reaction activity in lanthanum nickelate — •Achim Füngerlings1, Marcus Wohlgemuth2, Denis Antipin3, Emma van der Minne4, Ellen Marijn Kiens4, Javier Villalobos3, Marcel Risch3, Felix Gunkel2, Christoph Bäumer4, and Rossitza Pentcheva11Department of Physics and Center for Nanointegration Duisburg-Essen (CENIDE), University of Duisburg-Essen, Duisburg, Germany — 2Peter Gruenberg Institute and JARA-FIT, Forschungszentrum JuelichGmbH, Juelich, Germany — 3Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Berlin, Germany — 4MESA+ Institute for Nanotechnology, Faculty of Science and Technology,University of Twente, Enschede, Netherlands

We present a combined experimental and theoretical study of the (001), (110) and (111) facets of LaNiO3−δ electrocatalyst for water oxidation using electrochemical measurements, X-ray spectroscopy, and density functional theory calculations with a Hubbard U-term. We reveal that the (111) overpotential is ≈30−60 mV lower than for the other facets. While a surface transformation into oxyhydroxide-like NiOO(H) may occur for all three orientations, it is more pronounced for (111). A structural mismatch of the transformed layer with the underlying perovskite for (001) and (110) influences the ratio of Ni2+ and Ni3+ to Ni4+ sites during the reaction and thereby the binding energy of reaction intermediates, resulting in the distinct catalytic activities of the transformed facets.

Keywords: Electrocatalysis; Perovskite; Surface Reconstruction; Oxygen Evolution Reaction

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