Role of sulfur vacancies in MoS(2) monolayers in stabilizing Co atoms for efficient CO oxidation

By performing first-principles calculations, a MoS(2) monolayer with a Co atom doped at the sulfur defect (Co-(S)MoS(2)) was investigated as a single-atom catalyst (SAC) for CO oxidation. The Co atom is strongly constrained at the S-vacancy site of MoS(2) without forming clusters by showing a high d...

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Detalles Bibliográficos
Autores principales: Li, Manman, Li, Tianchun, Jing, Yu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2022
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9635436/
https://www.ncbi.nlm.nih.gov/pubmed/36380960
http://dx.doi.org/10.1039/d2ra06261e

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9635436/
https://www.ncbi.nlm.nih.gov/pubmed/36380960
http://dx.doi.org/10.1039/d2ra06261e

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