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Cu(4) Cluster Doped Monolayer MoS(2) for CO Oxidation

The catalytic oxidation of CO molecule on a thermodynamically stable Cu(4) cluster doped MoS(2) monolayer is investigated by density functional theory (DFT) where the reaction proceeds in a new formation order of COOOCO* (O(2)* + 2CO* → COOOCO*), OCO* (COOOCO* → CO(2) + OCO*), and CO(2) (OCO* → CO(2...

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Detalles Bibliográficos
Autores principales: Chen, Z. W., Yan, J. M., Zheng, W. T., Jiang, Q.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4459236/
https://www.ncbi.nlm.nih.gov/pubmed/26052674
http://dx.doi.org/10.1038/srep11230