NDLI: Theoretical Study of O 2 and Co Adsorption on Gold Clusters in Gas Phase and Supported on Alumina Clusters and Surfaces

Content Provider	Semantic Scholar
Author	Fernández, Eva María
Copyright Year	2005
Abstract	Aiming to understand the role of the substrate in the adsorption of oxygen and carbon monoxide on small gold clusters supported on metallic oxides, we have started a systematic study of these processes on different substrates. Here we present results concerning adsorption on gold clusters in the gas phase, as well as supported on two different Al2O3 substrates: a fully relaxed stoichiometric cluster with 100 atoms, and the alpha-alumina (0001) surface. These results are obtained by means of first-principles density functional calculations based on norm-conserving pseudo-potentials and numerical basis sets.
File Format	PDF HTM / HTML
Alternate Webpage(s)	http://www.phantomsnet.net/files/abstracts/TNT2005/TNT05_balbas.pdf
Language	English
Access Restriction	Open
Content Type	Text
Resource Type	Article

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