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Theoretical study of the adsorption of benzene on coinage metals

The adsorption of benzene on the M(111), M(100) and M(110) surfaces of the coinage metals copper (M = Cu), silver (M = Ag) and gold (M = Au) is studied on the basis of density functional theory (DFT) calculations with an empirical dispersion correction (D3). Variants of the Perdew–Burke–Ernzerhof fu...

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Detalles Bibliográficos
Autores principales:	Reckien, Werner, Eggers, Melanie, Bredow, Thomas
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Beilstein Institute 2014
Materias:	Full Research Paper
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4142854/ https://www.ncbi.nlm.nih.gov/pubmed/25161736 http://dx.doi.org/10.3762/bjoc.10.185

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