Mostrando 3 resultados de: 3
Filtros aplicados
Subtipo de publicación
Article(3)
Critical 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: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