Regensburg 2010 – scientific programme
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DS: Fachverband Dünne Schichten
DS 16: [CPP] Organic Electronics and Photovoltaics I (Joint Session DS/CPP/HL/O)
DS 16.8: Talk
Tuesday, March 23, 2010, 11:30–11:45, H37
Charge transport in self-assembled semiconducting organic layers: role of dynamic and static disorder — •Thorsten Vehoff1, Yeon Sook Chung2, Karen Johnston1, Alessandro Troisi3, Do Yeung Yoon2, and Denis Andrienko1 — 1Max Planck Institut fuer Polymerforschung, Ackermannweg 10, 55128 Mainz, Germany — 2Department of Chemistry, Seoul National University, Seoul 151-747, Republic of Korea — 3Department of Chemistry and Centre of Scientific Computing, University of Warwick, Coventry, CV4 7AL, United Kingdom
Partial disorder is an inherent property of self-assembled organic semiconductors that complicates their rational design, since electronic structure, self-assembling properties and stability all have to be accounted for simultaneously. Therefore, the understanding of charge transport mechanisms in these systems is still in its infancy. A theoretical study of charge transport in organic semiconductors was performed on self-assembled layers of [1]Benzothieno[3,2-b]benzothiophene functionalized with alkyl side chains. Analysis showed that semiclassical dynamics misses static (on timescales of charge transport) disorder while the solution of the master equation combined with the high-temperature limit Marcus theory for charge transfer rates does not take into account molecular dynamic modes relaxing on a timescale of charge hopping. A comparison between predictions based on a perfectly ordered and a realistic crystal structure reveals the strong influence of static and dynamic disorder. The advantage of two-dimensional charge transporting materials over one-dimensional ones is clearly shown.