Dresden 2009 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 42: Poster Session II (Nanostructures at surfaces: arrays; Nanostructures at surfaces: Dots, particles, clusters; Nanostructures at surfaces: Other; Nanostructures at surfaces: Wires, tubes; Metal substrates: Adsorption of O and/or H; Metal substrates: Clean surfaces; Metal substrates: Adsorption of organic/bio moledules; Metal substrates: Solid-liquid interfaces; Metal substrates: Adsorption of inorganic molecules; Metal substrates: Epitaxy and growth; Heterogeneous catalysis; Surface chemical reactions; Ab-initio approaches to excitations in condensed matter; Organic, polymeric, biomolecular films– also with adsorbates; Particles and clusters)
O 42.92: Poster
Mittwoch, 25. März 2009, 17:45–20:30, P2
Chemical trends in the metal-substrate interaction for adsorbed Pt atoms — •Chong Gao and Axel Größ — Institut für Theoretische Chemie, Universität Ulm, *D-89069 Ulm, Germany
Catalysts typically consist of small metal particles deposited on a oxide substrate. In this context, the so-called strong metal support interaction (SMSI) has been discussed intensively [1] which significantly influences the catalytic properties of group VIII metals. Using density functional theory, we have performed a systematic study of chemical trends in the metal-support interaction. As a first step, we considered a single Pt atoms adsorbed on TiO2, Si and Au substrates, thus making also contact to systems that are of interest in electrocatalysis. As a probe of the chemical reactivity, we determined the electronic structure of the adsorbed Pt atoms and evaluated CO adsorption energies on these metal-support systems. The results are compared to recent results of the local reactivity of surface alloy systems [1,2].
[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).