Article ID Journal Published Year Pages File Type
5353357 Applied Surface Science 2014 8 Pages PDF
Abstract

- Favorable adsorption configurations of H2S, HS on Mo(1 0 0) were characterized.
- All possible dissociation pathways of H2S dehydrogenation were distinguished and mapped.
- Decomposition of H2S on Mo(1 0 0) is facile.
- The difference of reaction barrier during the second dehydrogenation with and without hydrogen co-adsorption is minor.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Adsorption and dissociation of H2S on Mo(1 0 0) surface by first-principles study
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