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O: Fachverband Oberflächenphysik

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

O 58.18: Poster

Mittwoch, 28. März 2012, 18:15–21:45, Poster B

Adsorption of Diindenoperylene on Cu(111) Surfaces — •Hazem Aldahhak, Eva Rauls, and Wolf Gero Schmidt — Theoretische Physik, Universität Paderborn, Warburger Str. 100, 33100 Paderborn

Thin films of organic molecules like diindenoperylene (DIP) on metal substrates are of great interest for the further miniaturization of organic optoelectronic devices. As recently reported, films of DIP molecules on Cu(111) surfaces behave ambipolarly. In contrast to deposition on largely extended terraces, deposition of DIP molecules on narrow terraces (<15 nm) of Cu(111) leads to an interesting structure with co-directionally oriented molecules, the symmetry of which is not dictated by the hexagonal substrate symmetry [1].

In order to clarify this behavior, we investigated the balance between intermolecular and molecule-substrate interactions in this system. We performed first principles density functional theory calculations for various adsorbate structures. For isolated DIP molecules, the calculation of the potential energy surface (PES) allows us to determine the activation energy for the mobility of the molecules as a prerequisite for self organisation. At higher coverages, the molecules are found to organise in adsorbate structures which agree well with the experimental findings in [1].

[1] De Oteyza et al., Phys. Chem. Chem. Phys. 11, 8741 (2009).