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
Autores principales: Seitz, H., Luna, C., Juan, A., Brizuela, G., Irigoyen, B.
Formato: JOUR
Materias:
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_19327447_v119_n9_p4967_Seitz
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