Propylene adsorption on a nonstoichiometric VSbO4(110) surface

Density functional theory calculations were performed to investigate propylene adsorption on the nonstoichiometric VSbO4(110) surface. V and Sb sites and two extreme ways of propylene approximation to the surface were considered. Among the six computed configurations, the most stable geometry corres...

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Detalles Bibliográficos
Publicado:	2015
Materias:	Adsorption Chemical bonds Density functional theory Ammoxidation reactions Double bonds Non-stoichiometric Orbitals Propylene
Acceso en línea:	https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_19327447_v119_n9_p4967_Seitz http://hdl.handle.net/20.500.12110/paper_19327447_v119_n9_p4967_Seitz
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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