Regensburg 2013 – wissenschaftliches Programm

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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 36.9: Poster

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

Charge carrier separation at P3HT-SiC based solar cells — •Andreas Lücke, André Konopka, Siegmund Greulich-Weber, Eva Rauls, Wolf Gero Schmidt, and Uwe Gerstmann — Universität Paderborn, Department Physik, Paderborn, Germany

Today the standard organic solar cells consist of a polymer-fullerene interface for charge carrier separation. In order to reduce the costs and to increase the separation effiency, substitutes for the fullerenes are highly desirable. Here, silicon carbide in its cubic polytype (3C-SiC) is a promising alternative, providing HOMO and LUMO positions similar to those of fullerenes [1]. Here we study numerically the geometry, electronic structure and electron transport properties of the P3HT-SiC interface. Thereby we use the Quantum Espresso Package [2] implementation of the density-functional theory. As a model for P3HT polymers interlocked P3HT chains are utilized.

In order to get a qualitative insight into the carrier separation process, the transition probability is calculated with a ballistic transport model. Particular emphasis is given onto the orientation of the P3HT molecules at the contact and the influence of van der Waals interactions.

[1] A. Konopka et al., Mat. Sci. Eng. 15, 012013 (2010).

[2] P. Giannozzi et al., J. Phys.:Condens. Matter 21, 395502 (2009);

URL http://www.quantum-espresso.org