Unravelling the Origin of the High-Catalytic Activity of Supported Au: A Density-Functional Theory-Based Interpretation.

The article examines the adoption of a density-functional theory-based interpretation for determining the origin of the high-catalytic activity of supported gold (Au). The outstanding activity of supported Au particles has been attributed to structural effects as size, shape and thickness. In partic...

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Publicado en:Journal of the American Chemical Society Vol. 128; no. 49; pp. 15600 - 15602
Autores principales: Hernändez, Norge Cruz, Sanz, Javier Fdez., Rodriguez, José A.
Formato: Artículo
Publicado: American Chemical Society 12/13/2006
Materias:
Acceso en línea:Ver este registro en EBSCOhost
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        atl: Unravelling the Origin of the High-Catalytic Activity of Supported Au: A Density-Functional Theory-Based Interpretation.
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        au:
          Hernändez, Norge Cruz
          Sanz, Javier Fdez.
          Rodriguez, José A.
        affil:
          Departamento de Química Física, Facultad de Química, Universidad de Sevilla, E-41012 Sevilla, Spain
          Department of Chemistry, Brookhaven National Laboratory, Upton, New York 11973
      su:
        Gold
        Density functionals
        Functional analysis
        Oxides
        Catalysis
        Physical & theoretical chemistry
      sug:
        subj:
          Gold
          Density functionals
          Functional analysis
          Oxides
          Catalysis
          Physical & theoretical chemistry
      ab: The article examines the adoption of a density-functional theory-based interpretation for determining the origin of the high-catalytic activity of supported gold (Au). The outstanding activity of supported Au particles has been attributed to structural effects as size, shape and thickness. In particular, it is observed that Au supported on reducible oxides has a higher reactivity compared to Au on irreducible oxides.
      pubtype: Academic Journal
      doctype: Article
      src: R
    language: English
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