Theoretical insights on [O.sub.2] and CO adsorption on neutral and positively charged gold clusters
Article Abstract:
The adsorption of molecular species, such as [O.sub.2] and CO on model neutral and positively charged clusters is studied using an ab initio approach with the aim of understanding the elementary steps governing the oxidation of CO catalyzed by dispersed or supported gold nanoclusters. The computed structural and thermodynamic data related to the binding process show that molecular oxygen interacts better with neutral clusters, acting as an electron acceptor, while CO more strongly binds to positively charged species, thus acting as an electron donor.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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Physisorption of N(sub 2), O(sub 2) and CO on fully oxidized TiO(sub 2)(110)
Article Abstract:
Physisorption of N(sub 2), O(sub 2) and CO was studied on fully oxidized TiO(sub 2)(110) using beam reflection and temperature-programmed desorption (TPD) techniques. Sticking coefficients for all three molecules are nearly equal and approximately independent of coverage suggesting that adsorption occurs through a precursor-mediated mechanism.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
User Contributions:
Comment about this article or add new information about this topic:
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