Regensburg 2013 – scientific programme

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HL: Fachverband Halbleiterphysik

HL 92: Poster Session: Structure and transport in organic photovoltaics; Photovoltaics; Impurities/Amorphous semiconductors; New materials

HL 92.5: Poster

Thursday, March 14, 2013, 16:00–20:00, Poster A

Modeling disordered morphologies in organic semiconductors — •Tobias Neumann¹, Denis Danilov¹, Christian Lennartz², and Wolfgang Wenzel¹ — ¹KIT Campus Nord Gebäude 640 D-76344 Eggenstein-Leopoldshafen — ²BASF Ludwigshafen

Organic thin film devices are investigated for many diverse applications, including light emitting diodes, organic photovoltaics and organic field effect transistors. Modeling of their properties on the basis of their detailed molecular structure requires generation of representative morphologies for these systems, many of which are amorphous. Because time-scales for the creation of morphologies are slow, we have investigated a linear-scaling single-molecule deposition protocol which generates disordered morphologies in a protocol that emulates vapor deposition of molecular films. Here we have applied this protocol on 5 test systems, with and without post-processing of the individually deposited molecules at every step. For the two simple systems, a noble gas and buckminster fullerenes, we managed to deposit ordered structures. Furthermore we investigated the properties of amorphous structure of films made of Alq3, PCBM and Alpha-NPD molecules, which are widely used in organic electronics, and compared our results to molecular dynamics simulations for each molecule.