Transition Metal Arsenide Catalysts for the Hydrogen Evolution Reaction

Gauthier, Joseph A, King, Laurie A ORCID: https://orcid.org/0000-0002-0772-2378, Stults, Faith Tucker, Flores, Raul A, Kibsgaard, Jakob, Regmi, Yagya N, Chan, Karen and Jaramillo, Thomas F (2019) Transition Metal Arsenide Catalysts for the Hydrogen Evolution Reaction. The Journal of Physical Chemistry C, 123 (39). pp. 24007-24012. ISSN 1932-7447

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Official URL: https://pubs.acs.org/doi/10.1021/acs.jpcc.9b05738

Abstract

We report, to our knowledge for the first time, a combined experimental and density functional theory (DFT) investigation into the activity and stability of cobalt, molybdenum, and copper arsenides as catalysts for the hydrogen evolution reaction (HER). We find CoAs and MoAs to be the most active arsenide materials. We discuss the trends between calculated surface vacancy formation energies and catalyst stability. Using a simple thermodynamic model of HER activity, we find consistent trends between hydrogen binding free energy and the experimentally observed activity.

Item Type:	Article
Peer-reviewed:	Yes
Date Deposited:	31 Oct 2019 12:42
Publisher:	American Chemical Society (ACS)
Additional Information:	This document is the Accepted Manuscript version of a Published Work that appeared in final form in The Journal of Physical Chemistry C, copyright © American Chemical Society and the Division of Chemical Education, Inc., after peer review and technical editing by the publisher
Divisions:	Faculties > Science and Engineering Research Centres > Advanced Materials and Surface Engineering
Subject terms:	09 Engineering, 03 Chemical Sciences, 10 Technology, Physical Chemistry
URI:	https://e-space.mmu.ac.uk/id/eprint/624260
DOI:	https://doi.org/10.1021/acs.jpcc.9b05738
ISSN	1932-7447
e-ISSN	1932-7455

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