Regensburg 2010 – scientific programme
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 27: Poster: Organic Electronics and Photovoltaics
CPP 27.9: Poster
Wednesday, March 24, 2010, 17:30–19:00, Poster C
Influence of Packing Motives on Charge Carrier Mobility in Perylene Tetracarboxdiimide Derivatives — •Falk May1, Valentina Marcon2, and Denis Andrienko1 — 1Max Planck Institute for Polymer Research, Ackermannweg 10, 55128 Mainz, Germany — 2Center of Smart Interfaces, Petersenstr. 32, 64287 Darmstadt, Germany
Discotic mesophases are known for their ability to self-assemble into columnar structures and can serve as semiconducting molecular wires. Charge carrier mobility along these wires strongly depends on molecular packing which is controlled by intermolecular interactions.
In this work we compare the influence of side chains on the packing motives of perylene tetracarboxdiimide (PDI) derivatives. Two different (alkyl and glycol) side chains are considered. We first establish how the packing of side chains affects the molecular orientation within the columns using molecular dynamics. Then, using the high temperature non-adiabatic limit of Marcus theory for hopping rates and solving the rate equation for charge transport, we analyze the link between the secondary structure and charge carrier mobility [1]. This analysis eventually provides a pathway to rational design of columnar assemblies of PDI derivatives with high charge mobilities.
[1]V.Marcon et al., J. Am. Chem. Soc., 131, 2009