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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:googlescopusDft study of methylene blue adsorption on zntio<inf>3</inf> and tio<inf>2</inf> surfaces (101)
ArticleAbstract: The search for alternative materials with high dye adsorption capacity, such as methylene blue (MB),Palabras claves:Adsorption, DFT, Methylene blue, TiO 2, ZnTiO 3Autores:Luis Fernando Capa, Medina F., Silvia González Pérez, Ximena V. Jaramillo-FierroFuentes:scopusCritical size for O<inf>2</inf> dissociation by Au nanoparticles
ArticleAbstract: Density functional theory calculations carried out for a series of Au nanoparticles as well as for ePalabras claves:Catalysis, Density functional calculations, Gold nanoparticles, SELECTIVE OXIDATIONAutores:Illas F., Ricart J.M., Roldán A., Silvia González PérezFuentes:googlescopusDehydrochlorination of PCDDs on SWCN-Supported Ni<inf>10</inf> and Ni<inf>13</inf> Clusters, a DFT Study
ArticleAbstract: Polychlorinated dibenzo-p-dioxins (PCDDs) are known to be a group of compounds of high toxicity forPalabras claves:clusters, dehydrochlorination, DFT, dibenzo-p-dioxins, nanotubes, nickelAutores:Arianna Jimbo, César H. Zambrano, Martha Porras, Silvia González PérezFuentes:scopusCO 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:googlescopusEvidence for spontaneous CO<inf>2</inf> activation on cobalt surfaces
ArticleAbstract: Density functional calculations carried out for the interaction of CO2 with the low index faces of CPalabras claves:Autores:de la Peña O'Shea V., Fierro J.L.G., Illas F., Silvia González PérezFuentes:googlescopusEfecto de la composición y estructura de superficies metálicas y bimetálicas de Cu, Pd y Rh, en la disociación catalítica de NaNO3 para la obtención de nitrógeno
Bachelor ThesisAbstract: El desarrollo industrial de nuestras sociedades, aumenta consigo los niveles de contaminantes presenPalabras claves:Catálisis experimental, Ingeniero químico – Tesis y disertaciones académicas, Nitratos – Reducción, Superficies metálicasAutores:John Braulio Montoya Agurto, Silvia González PérezFuentes:rraaeEstudio teórico de la disociación de CH4 en superficies (100), (110) y (111) de Rh y Ni: efecto de la composición y estructura de la superficie
Bachelor ThesisAbstract: En este trabajo se estudió teóricamente la adsorción y disociación de la molécula de CH4 en superficPalabras claves:Disociación química, Ingeniería Química, Ingeniero químico -Tesis y disertaciones académicas, Molécula de CH4Autores:Silvia González Pérez, Yody Gabriela Erazo ReyesFuentes:rraae