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scopus(5)
A DF-vdW study of the CH<inf>4</inf> adsorption on different Ni surfaces
ArticleAbstract: A systematic density functional (DF) theory based study of methane (CH 4) adsorption on the three loPalabras claves:DFT, Dispersión, Methane, NiAutores:Illas F., Juan Fernando García, Silvia González Pérez, Viñes F., Yody ErazoFuentes:scopusDouble-well potential energy surface in the interaction between h-BN and Ni(111)
ArticleAbstract: Density functional theory calculations with non-local correlation functionals, properly accounting fPalabras claves:Autores:Grau-Crespo R., Illas F., Jorge Ontaneda, Viñes F.Fuentes:scopusEffect of the support on the electronic structure of Au nanoparticles supported on transition metal carbides: Choice of the best substrate for Au activation
ArticleAbstract: Periodic density functional theory calculations on large supercells have been carried out to investiPalabras claves:Autores:Florez E., Illas F., Leticia Feria, Rodríguez J.A., Viñes F.Fuentes:scopusNovel Au-TiC catalysts for CO oxidation and desulfurization processes
Conference ObjectAbstract: Recent articles dealing with the physical and chemical properties of novel Au-TiC catalysts are reviPalabras claves:CO oxidation, GOLD, Hydrodesulfurization, Titanium carbideAutores:Florez E., Illas F., Leticia Feria, Liu P., Nakamura K., Rodríguez J.A., Takahashi Y., Viñes F.Fuentes:scopusThe bending machine: CO<inf>2</inf> activation and hydrogenation on δ-MoC(001) and β-Mo<inf>2</inf>C(001) surfaces
Conference ObjectAbstract: The adsorption and activation of a CO2 molecule on cubic δ-MoC(001) and orthorhombic β-Mo2C(001) surPalabras claves:Autores:Alba Beatriz Vidal, Illas F., Posada-Pérez S., Ramírez P.J., Rodríguez J.A., Viñes F.Fuentes:scopus