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First Principles Study on the CO Oxidation on Mn-Embedded Divacancy Graphene

The CO oxidation mechanism on graphene with divacancy (DG) embedded with transition metal from Sc to Zn has been studied by using first principles calculations. The results indicate that O(2) molecule is preferentially adsorbed on Sc, Ti, V, Cr, Mn, and Fe-DG, which can avoid the CO poisoning proble...

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Detalles Bibliográficos
Autores principales:	Jiang, Quanguo, Zhang, Jianfeng, Ao, Zhimin, Huang, Huajie, He, Haiyan, Wu, Yuping
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2018
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5992397/ https://www.ncbi.nlm.nih.gov/pubmed/29911100 http://dx.doi.org/10.3389/fchem.2018.00187

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