Allgemeines Physikalisches Kolloquium im Sommersemester 2013
Ort:     48149 Münster, Wilhelm-Klemm-Str. 10, IG I, HS 2,
Zeit:    Donnerstag, 04.07.2013 16:00 Uhr c.t.
Kolloquiums-Kaffee ab 15:45 Uhr vor dem Hörsaal

Design rules for organic semiconductors for optoelectronic applications
Dr. Denis Andrienko, Max Planck Institute for Polymer Research, Mainz

Interest in the field of organic electronics is largely provoked by the possibility to fine-tune properties of
organic semiconductors by varying their chemical structure. Often, compound design is solely guided by
chemical intuition, even though material development would benefit from more rigorous structure-property
relationships, which link the chemical structure, material morphology and macroscopic properties. To
formulate such relationships, an understanding of physical processes occurring on a microscopic level as
well as the development of methods capable of scaling these up to macroscopic dimensions are required
[1]. The aim of computer simulations is to facilitate this by zooming in on the behavior of electrons and
molecules and by bridging micro- and macroscopic worlds. Here, we describe the current status of
methods which allow the linking of molecular electronic structure and material morphology to the
macroscopic/microscopic dynamics of charge carriers and excitons. Special attention is paid to the
challenges these methods face when aiming at quantitative predictions [2,3].

[1]	V. Ruehle, A. Lukyanov, F. May, M. Schrader, T. Vehoff, J. Kirkpatrick, B. Baumeier, D. Andrienko, J. Chem. Theory Comput., 3335-3345, 2011
[2]	F. May, B. Baumeier, C. Lennartz, D. Andrienko, Phys. Rev. Lett., 109, 136401, 2012
[3]	M. Schrader, R. Fitzner, M. Hein, C. Elschner, B. Baumeier, M. Riede, K. Leo, P. Baeuerle, D. Andrienko, J. Am. Chem. Soc., 134, 6052-6056, 2012

Einladender: Prof. Dr. Nikos Doltsinis

Im Auftrag der Hochschullehrer des Fachbereichs Physik

Prof. Dr. Nikos Doltsinis