Dresden 2017 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 107: Heterogeneous Catalysis: Theory II

O 107.4: Vortrag

Freitag, 24. März 2017, 11:15–11:30, TRE Phy

Trends in catalytic activity of Ni-based electrodes for the hydrogen evolution reaction — •Hannah Schlott1, Marc Ledendecker2, Markus Antonietti3, Menny Shalom4, and Bernd Meyer11Interdisciplinary Center for Molecular Materials and Computer-Chemistry-Center, FAU Erlangen-Nürnberg — 2Max-Planck-Institut für Eisenforschung, Düsseldorf — 3Max-Planck-Institute of Colloids and Interfaces, Potsdam — 4Chemistry Department, Ben Gurion University of the Negev, Israel

Metallic binary compounds have emerged in resent years as highly active and stable electrocatalysts toward the hydrogen evolution reaction. The origin of their high activity from a theoretical and experimental point of view is elucidated. Different metallic ceramics (Ni3S2, Ni3N, and Ni5P4) are grown directly on Ni support in order to avoid any contaminations. DFT calculations were performed to obtain a deeper understanding of possible active adsorption sites and the observed catalytic stability. It is found that the heteroatoms P, S, and N actively take part in the reaction. Due to the anisotropic nature of the materials, a variety of adsorption sites with highly coverage-dependent properties exist, leading to a general shift in hydrogen adsorption free energies Δ GH close to zero. Extending the knowledge gained about the here described materials, a new catalyst is prepared by modifying a high surface Ni foam, for which current densities up to 100 mA cm−2 at around 0.15 V are obtained.

[1] M. Ledendecker, H. Schlott, M. Antonietti, B. Meyer, M. Shalom, Adv. Energy Mater. 2016, 1601735.

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