Journal article
Theoretical insights into the hydrogen evolution activity of layered transition metal dichalcogenides
Department of Chemical Engineering, Stanford University, Stanford, CA 94305, USA1
SUNCAT Center for Interface Science and Catalysis, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025, USA2
•The hydrogen evolution reaction on various layered transition metal dichalcogenides have been investigated using density functional theory.•The effect of the composition, structure, and facet are elucidated in terms of activity and stability.•The Volmer–Tafel route is shown to be unlikely on either basal planes or edges of the transition metal dichalcogenides.
Language: | English |
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Publisher: | Elsevier BV |
Year: | 2015 |
Pages: | 133-140 |
ISSN: | 18792758 and 00396028 |
Types: | Journal article |
DOI: | 10.1016/j.susc.2015.01.019 |