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Nitrogen Monoxide Adsorption on Pt4 Clusters Coated on -Al2O3 (111) Surface

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Abstract:

The nitrogen monoxide (NO) adsorption on platinum tetramer (Pt4) clusters supported on gamma alumina (-Al2O3) with surface index (111) was investigated by using ab-initio calculation based on density functional theory. The Pt4 geometries used in this study are tetrahedron and planar rhombus. The adsorption of Pt4 on -Al2O3(111) surface in tetrahedron configuration is energetically more favorable as compared to that of the planar rhombus. However, it was found that NO molecule adheres strongly to Pt4 with planar configuration on -Al2O3(111) surface. In addition, the NO adsorption calculation on the isolated Pt4 clusters also shows similar preference to planar configuration. The local density of states (LDOS) reveals that the difference in reactivity comes from the different hybridization strengths between the electronic states of nitrogen atom and those of platinum tetramers. The results are in good agreement with the experiments which show similar tendency for CO and N2O reactivity to gas-phase platinum clusters.

Keywords: ADSORPTION; ALUMINA; DIESEL OXIDATION CATALYST; NITROGEN MONOXIDE; PLATINUM TETRAMER CLUSTER

Document Type: Research Article

DOI: http://dx.doi.org/10.1166/jnn.2011.3915

Publication date: April 1, 2011

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  • Journal for Nanoscience and Nanotechnology (JNN) is an international and multidisciplinary peer-reviewed journal with a wide-ranging coverage, consolidating research activities in all areas of nanoscience and nanotechnology into a single and unique reference source. JNN is the first cross-disciplinary journal to publish original full research articles, rapid communications of important new scientific and technological findings, timely state-of-the-art reviews with author's photo and short biography, and current research news encompassing the fundamental and applied research in all disciplines of science, engineering and medicine.
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