Critical size for O<inf>2</inf> dissociation by Au nanoparticles

Abstract:

Density functional theory calculations carried out for a series of Au nanoparticles as well as for extended systems containing low-coordinated sites show that the presence of low-coordinate Au atoms is not enough to dissociate O2. Strong adsorption of molecular oxygen on Au nanoparticles is a necessary but not sufficient condition for O2 dissociation, there is a common pathway for O2 dissociation on these nanoparticles and there is critical size for Au nanoparticles to dissociate O2. © 2009 Wiley-VCH Verlag GmbH & Co. KGaA.

Año de publicación:

2009

Keywords:

• Gold nanoparticles
• Density functional calculations
• SELECTIVE OXIDATION
• Catalysis

Fuente:

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scopus