Mostrando 6 resultados de: 6
Filtros aplicados
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:scopusA systematic density functional study of ordered sulfur overlayers on Cu(1 1 1) and Ag(1 1 1): Influence of the adsorbate coverage
ArticleAbstract: The interaction of atomic S with the Cu(1 1 1) and Ag(1 1 1) surfaces has been studied using densityPalabras claves:Chemisorption, Copper, coverage, DFT, Poison, Promoter, SILVER, SulfurAutores:Illas F., May M., Silvia González PérezFuentes:googlescopusCO adsorption on monometallic Pd, Rh, Cu and bimetallic PdCu and RhCu monolayers supported on Ru(0 0 0 1)
ArticleAbstract: This work presents a systematic periodic density functional study of the changes in CO adsorption onPalabras claves:Bimetallic, CO adsorption, Cu, DFT, PD, PdCu, Rh, RhCu, Supported monolayersAutores:Illas F., Silvia González PérezFuentes:googlescopusFeatures and catalytic properties of RhCu: A review
Book PartAbstract: The study of bimetallic catalysts has scientific and technologic importance because of special catalPalabras claves:Bimetallic, Catalysis, DFT, RhCuAutores:C. Sousa, F. Illas, Illas F., S. Gonzalez Perez, Silvia González Pérez, Sousa C.Fuentes:googlerraaescopusInteraction of SO<inf>2</inf> with Cu/TiC(0 0 1) and Au/TiC(0 0 1): Toward a new family of DeSO<inf>x</inf> catalysts
ArticleAbstract: Experiments carried out under well-controlled conditions and density functional theory (DFT)-based cPalabras claves:Au nanoparticles, Cu nanoparticles, DeSO x, DFT, tic, XPSAutores:Illas F., Jirsak T., Leticia Feria, Rodríguez J.A.Fuentes:scopusPromoter and poisoning effects on NO-catalyzed dissociation on bimetallic RhCu(111) surfaces
ArticleAbstract: A systematic density functional study of NO dissociation on Rh(111), Cu(111), and two different RhCuPalabras claves:Bimetallic, Cu(111), DFT, NO dissociation, Rh(111), RhCuAutores:Illas F., Silvia González Pérez, Sousa C.Fuentes:googlescopus