Dresden 2017 – scientific programme

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 50: Poster: Organic Electronics and Photovoltaics, Molecular Excitations

CPP 50.1: Poster

Wednesday, March 22, 2017, 18:30–21:00, P3

Solid state structure and charge transfer properties of D-A-D conjugated blocks: A joint experimental-theoretical approach — Deyan Raychev^1,2, Yevhen Karpov¹, Anton Kiriy¹, Jörg Grenzer³, Jens-Uwe Sommer^1,2, and •Olga Guskova^1,2 — ¹Leibniz-Institute of Polymer Research Dresden, Hohe Str. 6 01069 Dresden — ²Dresden Center for Computational Materials Science (DCMS), TU Dresden, 01062 Dresden — ³Helmholtz-Zentrum Dresden-Rossendorf e. V., Bautzner Landstraße 400 01328 Dresden

The performance of molecular materials in organic electronics dramatically depends on their electronic properties and solid-state structure. In this work, we have investigated donor-acceptor-donor (D-A-D) conjugated molecules having central benzothiadiazole A-unit in order to understand the structure-property correlation by selecting thiophene or furan D-flanks. We have found, that the electronic and photophysical behavior is not affected, but the conformational and charge transfer properties exhibit a significant alteration upon varying a flank [1]. A joint theoretical packing prediction and experimental powder X-ray diffraction analysis showed differences in the solid-state structure and intermolecular interactions of D-A-D molecules. As a result, the difference in the solid-state packing defines the mobility of electrons and/or holes within the organic molecular stacks. The financial support from the ESF Group "CoSiMa" at DCMS, TU Dresden is highly appreciated.

[1] D. Raychev, O. Guskova, G. Seifert and J.-U. Sommer, Comp. Mater. Sci., 2017, 126, 287-298.