Published 2019
| Version v1
Journal article
Transition Metal Arsenide Catalysts for the Hydrogen Evolution Reaction
Creators
- 1. SLAC National Accelerator Laboratory, Menlo Park, CA (United States). SUNCAT Center for Interface Science and Catalysis
- 2. Technical University of Denmark, Lyngby (Denmark). Dept. of Physics
Description
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.
Availability note (English)
Available from https://www.osti.gov/servlets/purl/1576800; https://www.osti.gov/biblio/1576800; DOE Accepted Manuscript full text, or the publishers Best Available Version will be available free of charge after the embargo periodAdditional details
Identifiers
Publishing Information
- Journal Title
- Journal of Physical Chemistry. C
- Journal Volume
- 123
- Journal Issue
- 39
- Journal Page Range
- p. 24007-24012
- ISSN
- 1932-7447
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 55005919
- Subject category
- S08: HYDROGEN; S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
- Descriptors DEI
- CATALYSTS; EVOLUTION; HYDROGEN
- Descriptors DEC
- ELEMENTS; NONMETALS
Optional Information
- Contract/Grant/Project number
- Contract AC02-76SF00515; EE0008084; 1265721; ECCS-1542152; AC02-05CH11231
- Funding organization
- USDOE Office of Science - SC, Basic Energy Sciences (BES) (United States)
- Secondary number(s)
- OSTIID--1576800