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Surface Morphology and Sulfur Reduction Pathways of MoS(2) Mo Edges of the Monolayer and (100) and (103) Surfaces by Molecular Hydrogen: A DFT Study
[Image: see text] We have performed a density functional theory study of the MoS(2) monolayer and the MoS(2) (100) and (103) surfaces in relation to the early stages of the hydrodesulfurization reaction. In many X-ray diffraction (XRD) results, the (103) surface exhibits a higher peak than the (100)...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6649294/ https://www.ncbi.nlm.nih.gov/pubmed/31459611 http://dx.doi.org/10.1021/acsomega.8b02990 |