Dresden 2009 – scientific programme

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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 42.35: Poster

Wednesday, March 25, 2009, 17:45–20:30, P2

Oxide formation on reconstructed Au(110) surfaces — •Marc Landmann, Eva Rauls, and Wolf Gero Schmidt — Lehrstuhl für Theoretische Physik, Universität Paderborn

The stability of oxygen adstructures on the unreconstructed (1x1) and the "missing row" type reconstructed (1x2) and (1x3) Au(110) surfaces [1,2] has been investigated by density-functional theory calculations, considering experimentally typical ultra high vacuum conditions. Three Au-O chain like structures have been identified to be especially stable under specific (T,p) conditions. These chain structures, oriented along the atomic ridges of the reconstructed surfaces, are clearly favored over oxygen conglomerates on (1xr) surfaces and represent the most stable form of chemisorbed atomic oxygen on Au(110) surfaces.

Our investigation of surface oxidation directly connects the adsorption of atomic oxygen on Au(110) single-crystal surfaces to experimental [3] and theoretical [4] results that have recently shown that oxygen incorporation in freely suspended atomic gold chains results in a stabilization of these structures.

[1] A. G. Sault, R. J. Madix and C. T. Campbell, Surf. Sci .169, 347, (1986)

[2] J.M. Gottfried, K.J. Schmidt, S.L.M. Schroeder and K. Christmann, Surf. Sci. 511, 65, (2002)

[3] W. H. A. Thijssen, D. Marjenburgh, R. H. Bremmer and J. M. van Ruitenbeek, Phys. Rev. Lett. 96, 026806, (2006)

[4] S. R. Bahn, N. Lopez, J. K. Norskov, and K. W. Jacobsen, Phys. Rev. B 66, 081405(R), (2002)