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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:googlescopusElectric field effects in the chemisorption of CO on bimetallic RhCu surface models
ArticleAbstract: Cluster models and hybrid density functional theory calculations are used to study the effect of anPalabras claves:alloys, Carbon monoxide, Chemisorption, Density functional calculations, Metallic surfaces, Surface electronic phenomena (work function, surface potential, surface states, etc.)Autores:Illas F., Silvia González Pérez, Sousa C.Fuentes:googlescopusTheoretical study of the chemisorption of CO on bimetallic RhCu surfaces and nanoparticles
ArticleAbstract: The CO interaction with bimetallic RhCu surface models representing several compositions has been stPalabras claves:alloys, Carbon monoxide, Chemisorption, Density functional calculations, Metallic surfacesAutores:Illas F., Silvia González Pérez, Sousa C.Fuentes:googlescopus