DFT studies of the adsorption of propane and propene on metallic surfaces in Ag/ZrO₂ catalysts as a model for catalytic combustion reactions of light hydrocarbons

Molecular modelling studies were carried out at the DFT level of the adsorption of propane and propene on Ag surfaces as a model of the interaction of light hydrocarbons with Ag/ZrO₂ catalysts for catalytic combustion reactions. It was found that the most stable mode of adsorption of propene through...

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Detalles Bibliográficos
Autores principales: Ruggera, José Fernando, Ocsachoque, Marco Antonio, Montaña, Maia, Casella, Mónica Laura, Lick, Ileana Daniela
Formato: Articulo
Lenguaje:Inglés
Publicado: 2023
Materias:
DFT
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/160013
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