Surface Morphology and Sulfur Reduction Pathways of MoS2 Mo Edges of the Monolayer and (100) and (103) Surfaces by Molecular Hydrogen: A DFT Study
S Posysaev, M Alatalo - ACS omega, 2019 - ACS Publications
We have performed a density functional theory study of the MoS2 monolayer and the MoS2
(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) surface, yet one of the most frequently occurring surface has not been studied
extensively. By analyzing experimental studies, we conclude that the (103) surface of MoS2
is the most frequently occurring edge surface when the sample size is thicker than∼ 10–15 …
(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) surface, yet one of the most frequently occurring surface has not been studied
extensively. By analyzing experimental studies, we conclude that the (103) surface of MoS2
is the most frequently occurring edge surface when the sample size is thicker than∼ 10–15 …
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