Dresden 2017 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 51: Nanostructures at Surfaces: 1D and 2D Structures and Networks
O 51.24: Poster
Dienstag, 21. März 2017, 18:30–20:30, P1C
The electronic structure of the Si(553)-Au surface functionalized by small molecules — •Svetlana Suchkova1, Eugen Speiser1, Sandhya Chandola1, Conor Hogan2, and Friedhelm Bechstedt3 — 1Leibnitz-Institut fuer Analytische Wissenschaften - ISAS - e.V., Department Berlin, Schwarzschildstr. 8-10, 12489 Berlin, Germany — 2Universita di Roma "Tor Vergata", Via della Ricerca Scientifica 1, 00133 Roma, Italy — 3Friedrich-Schiller-University Jena, Institut fuer Festkoerpertheorie und optik, Helmholtzweg 3, 07743 Jena
We propose a method for surface modification and tuning the electronic structure of the stepped Si(553)-Au surface by site-specific adsorption of toluene-3,4-dithiol (TDT) molecules. We continue our research on the adsorption of the molecule using density functional theory (DFT) simulations. Hydrogen is used to passivate the step edge dangling bonds, and various orientations/adsorption geometries of TDT on terrace sites are analysed. In spite of expectations, that molecular thiol groups will interact with Au chains, it was shown that the most reactive surface adsorption sites are Si double bonds on the honeycomb chains. On the basis of the analysis of the electronic band structure it was shown that depending on the selective adsorption geometry, metallic or insulating phases of the surface are observed. Our approach offers microscopic manipulation and fine tuning of surface geometry and electronic properties, preparation of nanopatterned surface templates with controllable molecular adsorption sites, and suggests a switch of chemical reactivity on such surfaces