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A 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: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