Regensburg 2013 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 52: Organic/bio Molecules on Metal Surfaces V
O 52.4: Vortrag
Mittwoch, 13. März 2013, 16:45–17:00, H38
Orientation- and site-dependent electronic structure of a molecule on Au(111) investigated by STM and DFT with dispersion corrections — •Maya Lukas1, Karin Fink1, Kerrin Dössel1, Alexandrina Schramm1, Christophe Stroh1, Olaf Fuhr1, Marcel Mayor1,2, and Hilbert von Löhneysen1,3 — 1Karlsruher Institut für Technologie (KIT), Institut für Nanotechnologie, D-76021 Karlsruhe — 2Universität Basel, Department of Chemistry, CH-4056 Basel — 3Karlsruher Institut für Technologie (KIT), Physikalisches Institut und Institut für Festkörperphysik, D-76021 Karlsruhe
The exact orientation and bonding of a molecular wire to the connecting electrodes has a crucial effect on the conductance. Determining the exact bonding configuration as well as the electronic properties in the same experiment is hardly ever achieved, if possible at all.
We investigated a molecule that consists of three identical molecular wires connected in a rigid conformation. Due to the molecules chiral form the wires become different when coupled to a Au(111) surface. By scanning tunneling microscopy and density functional theory with dispersion corrections we study the local electronic structure of the molecular wires. We find strong variations of the electronic structure for wires with different orientation with respect to the surface within one molecule. Furthermore, the effect a positional shift of the whole molecule on the surface is investigated. From our calculations we are able to distinguish effects due to structural rearrangements in the molecule from effects due to electronic interaction with the surface.