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Dresden 2011 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 60: Poster Session IV (Solid/liquid interfaces; Semiconductors; Oxides and insulators; Graphene; Plasmonics and nanooptics; Electronic Structure; Surface chemical reactions; Heterogeneous catalysis)

O 60.112: Poster

Mittwoch, 16. März 2011, 17:30–21:00, P4

Chemical trends in the metal-substrate interaction for adsorbed Pt atoms — •Chong Gao and Axel Groß — Institut für Theoretische Chemie, Universität Ulm, D-89069 Ulm, Germany

Catalysts typically consist of small metal particles deposited on a oxide substrate. The interaction of the support with the metal particles can play quite a significant role for the catalytic activity of the particles. Using density functional theory, we have addressed the catalytic activity of small supported Pt clusters with up to 6 atoms. As the support, we considered Au, Ru, Si and TiO2 substrates in order to derive chemical trends from metals to semiconductors and oxides. The electronic structure of the adsorbed Pt atoms and calculated CO adsorption energies on these metal-support systems are used as a probe of the chemical reactivity. The results are compared to recent results of the local reactivity of surface alloy systems [1,2]. In general, we find a strong anti-correlation between the binding energies of the Pt clusters on the substrates and the CO adsorption energies on the metal clusters.

[1] S. Sakong, C. Mosch, and A Groß, Phys. Chem. Chem. Phys. 9, 2216 (2007).

[2] Y. Gohda and A. Gross Surf. Sci. 601, 3702 (2007).

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