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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 42.51: Poster

Mittwoch, 25. März 2009, 17:45–20:30, P2

Organic-Metal Interface: Cysteine on Au(110) — •Benjamin Höffling, Frank Ortmann, Karsten Hannewald, and Friedhelm Bechstedt — Institut für Festkörpertheorie und -optik, Friedrich-Schiller-Univesität, Jena, Germany

The interaction of thiol groups with gold surfaces is of particular importance in the research of transport properties of organic materials (organic electronics) since the sulfur-gold interaction is strong and establishes a link between electrode and organic semiconductor. Additional functional groups, however, might have an influence on this bond and deserve attention in adsorption studies. By means of density functional calculations, we study such an interplay of different functional groups upon adsorption for the model system of the amino acid cysteine on the Au(110) surface. The interaction of the functional groups with the surface is investigated in detail. We present results on the electrostatic potential, the charge redistribution upon adsorption, and induced changes in the density of states Finally, we predict four qualitatively different adsorption configurations for cysteine on Au(110) and compare their characteristics.