Regensburg 2010 – wissenschaftliches Programm
Bereiche | Tage | Auswahl | Suche | Downloads | Hilfe
O: Fachverband Oberflächenphysik
O 41: Poster Session I (Semiconductor Substrates: Epitaxy and growth; Semiconductor Substrates: Adsorbtion; Semiconductor Substrates: Solid-liquid interfaces; Semiconductor Substrates: Clean surfaces; Oxides and insulators: Epitaxy and growth; Oxides and insulators: Adsorption; Oxides and insulators: Clean surfaces; Organic, polymeric and biomolecular films - also with adsorbates; Organic electronics and photovoltaics, Surface chemical reactions; Heterogeneous catalysis; Phase transitions; Particles and clusters; Surface dynamics; Surface or interface magnetism; Electron and spin dynamics; Spin-Orbit Interaction at Surfaces; Electronic structure; Nanotribology; Solid/liquid interfaces; Graphene; Others)
O 41.44: Poster
Dienstag, 23. März 2010, 18:30–21:00, Poster B1
Chemical trends in the metal-substrate interaction for the reactivity of 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. 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 up to four Pt atoms adsorbed on TiO2, Si, Ru 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).