Experimental and Theoretical Assessment of Ni-Based Binary Compounds for the Hydrogen Evolution Reaction

Ledendecker M, Schlott H, Antonietti M, Meyer B, Shalom M (2017)

Publication Type: Journal article

Publication year: 2017

Journal

Advanced Energy Materials Wiley

Book Volume: 7

Article Number: 1601735

Journal Issue: 5

DOI: 10.1002/aenm.201601735

Abstract

Metallic binary compounds have emerged in recent years as highly active and stable electrocatalysts toward the hydrogen evolution reaction. In this work, the origin of their high activity from a theoretical and experimental point of view is elucidated. Here, different metallic ceramics as Ni3S2, Ni3N, or Ni5P4 are grown directly on Ni support in order to avoid any contaminations. The correlation of theoretical calculations with detailed material characterization and electrochemical testing paves the way to a deeper understanding of possible active adsorption sites for each material and the observed catalytic activity. It is shown that heteroatoms as P, S, and N actively take part in the reaction and do not act as simple spectator. Due to the anisotropic nature of the materials, a variety of adsorption sites with highly coverage-dependent properties exists, leading to a general shift in hydrogen adsorption free energies \textgreekDGH 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 (for Ni3N) are obtained.

Authors with CRIS profile

Hannah Schlott Interdisziplinäres Zentrum für Molekulare Materialien (ICMM) Bernd Meyer Professur für Computational Chemistry

Additional Organisation(s)

Exzellenz-Cluster Engineering of Advanced Materials (EAM)

Involved external institutions

Max-Planck-Institut für Kolloid- und Grenzflächenforschung / Max Planck Institute of Colloids and Interfaces DE Germany (DE)

How to cite

APA:

Ledendecker, M., Schlott, H., Antonietti, M., Meyer, B., & Shalom, M. (2017). Experimental and Theoretical Assessment of Ni-Based Binary Compounds for the Hydrogen Evolution Reaction. Advanced Energy Materials, 7(5). https://doi.org/10.1002/aenm.201601735

MLA:

Ledendecker, Marc, et al. "Experimental and Theoretical Assessment of Ni-Based Binary Compounds for the Hydrogen Evolution Reaction." Advanced Energy Materials 7.5 (2017).

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