Different interface orientations of pentacene and PTCDA induce different degrees of disorder.

Nanoscale Research Letters
Angela PoschladWolfgang Wenzel

Abstract

: Organic polymers or crystals are commonly used in manufacturing of today's electronically functional devices (OLEDs, organic solar cells, etc). Understanding their morphology in general and at the interface in particular is of paramount importance. Proper knowledge of molecular orientation at interfaces is essential for predicting optoelectronic properties such as exciton diffusion length, charge carrier mobility, and molecular quadrupole moments. Two promising candidates are pentacene and 3,4:9,10-perylenetetracarboxylic dianhydride (PTCDA). Different orientations of pentacene on PTCDA have been investigated using an atomistic molecular dynamics approach. Here, we show that the degree of disorder at the interface depends largely on the crystal orientation and that more ordered interfaces generally suffer from large vacancy formation.

References

Aug 6, 2000·Acta Crystallographica. Section B, Structural Science·T OgawaN Karl
Apr 30, 2004·Journal of Computational Chemistry·Junmei WangDavid A Case
Mar 28, 2008·Physical Chemistry Chemical Physics : PCCP·J J KwiatkowskiC Lennartz
Jul 8, 2009·Accounts of Chemical Research·Jean Roncali
Aug 6, 2009·Accounts of Chemical Research·Jean-Luc BrédasVeaceslav Coropceanu
Jul 30, 2010·Journal of the American Chemical Society·Thorsten VehoffDenis Andrienko

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Citations

May 11, 2013·Physical Chemistry Chemical Physics : PCCP·Shigeaki Obata, Yukihiro Shimoi
Nov 28, 2012·Advanced Materials·Yao-Tsung FuJean-Luc Brédas

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