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Tungsten-Embedded Graphene: Theoretical Study on a Potential High-Activity Catalyst toward CO Oxidation

The oxidation mechanism of CO on W-embedded graphene was investigated by M06-2X density functional theory. Two models of tungsten atom embedded in single and double vacancy (W-SV and W-DV) graphene sheets were considered. It was found that over W-SV-graphene and W-DV-graphene, the oxidation of CO pr...

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Detalles Bibliográficos
Autores principales:	Dai, Guoliang, Chen, Lei, Zhao, Xin
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2018
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6213162/ https://www.ncbi.nlm.nih.gov/pubmed/30274145 http://dx.doi.org/10.3390/ma11101848

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