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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Detalles Bibliográficos
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:	Gold Density functionals Functional analysis Oxides Catalysis Physical & theoretical chemistry
Acceso en línea:	Ver este registro en EBSCOhost

Descripción
Sumario:	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.