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O: Fachverband Oberflächenphysik

O 36: Poster Session II (Organic films and electronics, photoorganics; Nanostructures; Plasmonics and nanooptics, Surface chemical reactions and heterogeneous catalysis, Surface dynamics )

O 36.10: Poster

Dienstag, 12. März 2013, 18:15–21:45, Poster B2

Structural and electronic properties of P3HT/SiC interfaces — •Andre Konopka, Siegmund Greulich-Weber, Andreas Lücke, Eva Rauls, Wolf Gero Schmidt, and Uwe Gerstmann — Universität Paderborn, Department Physik, Paderborn, Germany

Organic molecules have become an interesting new class of material in optoelectronic and photovoltaic applications. For organic photovoltaic applications a key issue is the separation of the photo-generated charges in the organic component. In organic molecules the charges are strongly bound and form excitons. In order to separate the electron and the hole a second material component has to be used. For many organic solar cell concepts fullerenes serve as an effective electron acceptor. It has been shown that inorganic semiconductors can also fill this role [1]. The necessary electronic structure for an effective transfer of the electrons into the acceptor material is closely related to states introduces to the system by the interface between the organic and inorganic components [2]. In this work we present different configurations of an organic-inorganic interface (P3HT/3C-SiC). Various binding situations of P3HT on the SiC surface have been calculated by density functional theory. We also studied the influence of van der Waals interaction on the structural and electrical properties of the interface. In comparison the situation for the typically used P3HT/PCBM material system are calculated.

[1] A. Konopka et al., IOP Conf. Series: Mat. Sci. Eng. 15, 012013 (2010). [2] A. Konopka et al., Mater. Res. Soc. Symp. Proc. Vol. 1322, (2011).