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O: Fachverband Oberflächenphysik

O 58: Poster Session III (Solid/liquid interfaces; Metals; Semiconductors; Oxides and insulators)

O 58.16: Poster

Wednesday, March 28, 2012, 18:15–21:45, Poster B

Co-Phtalocyanine on Au(100) Surfaces — •Eva Rauls and Wolf Gero Schmidt — Theoretische Physik, Universität Paderborn, Warburger Str. 100, 33100 Paderborn

For several reasons, phtalocyanines (Pc) with or without metal center are currently under intense investigation in surface physics. The biocompatibility of these molecules together with their electronic structure makes them highly interesting for energy transfer processes in medical applications. In nanotechnology, they are especially useful due to their flexibility, since the basis of these molecules can easily be varied with different functional groups substituting parts of the molecule or simply attached to the core of the molecule. But already upon exclusively exchanging the center atom, the binding energy to a substrate, the molecular deformation or the spin state can be tailored.

In this work, we present our first principles investigations of Co-Pc on Au(100)-surfaces. In contrast to our previous studies of similar porphyrins on Au(111) [1] or Au(110), the flat surface geometry does not induce the strong deformation observed in these cases. A comparatively strong interaction of the complete molecule with the substrate is observed.

[1] S. Müllegger, E. Rauls, et al. ACS Nano 5, 6480 (2011).