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O: Fachverband Oberflächenphysik
O 72: Solid-Liquid Interfaces: Reactions and Electrochemistry
O 72.6: Poster
Mittwoch, 9. März 2016, 18:15–20:30, Poster A
Trends in catalytic activity of Ni-based electrodes for the hydrogen evolution reaction — •Hannah Schlott1, Marc Ledendecker2, Menny Shalom2, Markus Antonietti2, and Bernd Meyer1 — 1Interdisciplinary Center for Molecular Materials and Computer-Chemistry-Center, FAU Erlangen-Nürnberg — 2Max-Planck-Institute of Colloids and Interfaces, Potsdam
Using density-functional theory (DFT) we investigated the hydrogen adsorption on (0001) surface terminations of different Ni-based compounds, which are promising new electrode materials for the hydrogen evolution reaction (HER). While pure Ni is known to be not a good electrode material for the HER since it binds hydrogen too strongly [1,2], electrochemical experiments indicate an improved performance for the binary compounds Ni3N, Ni3S2 and Ni5P4. In our DFT calculations we find decreased hydrogen adsorption energies for the Ni compounds, placing them closer to the activity maximum in a volcano plot relation than pure Ni [1,2]. However, experiment and theory suggest a different order of the performance for the investigated compounds. Reasons for this discrepancy will be discussed and consequences of these findings will be presented.
[1] J.K. Nørksov, T. Bligaard, A. Logadottir, J.R. Kitchin, J.G. Chen,
S. Pandelov, U. Stimming, J. Electrochem. Soc. 152, J23
(2005).
[2] P. Quaino, F. Juarez, E. Santos, W. Schmickler, Beilstein
J. Nanotechnol. 5, 846, (2014).