Regensburg 2016 – wissenschaftliches Programm
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 62: Organic Electronics and Photovoltaics III (joint session CPP/DS/HL/O, organized by CPP)
CPP 62.4: Vortrag
Freitag, 11. März 2016, 10:15–10:30, H40
How Morphology Affects the Charge Transport: A Case Study for C60 — •Sebastian Schellhammer1,2,3, Frank Ortmann1,2, and Gianaurelio Cuniberti1,2,3 — 1Institute for Materials Science and Max Bergmann Center of Biomaterials, Technische Universität Dresden, 01062 Dresden, Germany — 2Dresden Center for Computational Materials Science, Technische Universität Dresden, 01062 Dresden, Germany — 3Center for Advancing Electronics Dresden, Technische Universität Dresden, 01062 Dresden, Germany
The performance of organic electronic devices is significantly influenced by the morphology of the individual layers. However, theoretical studies can cover mostly only highly ordered or completely amorphous systems.
We present a computational algorithm for the construction of arbitrarily ordered films ranging from amorphous to polycrystalline and highly crystalline. We demonstrate its application for a systematic study of the electron mobility in C60 systems depending on the degree of ordering which is based on a full parameterization of the electronic properties. Additionally, we present a generalization for other molecular materials such as pentacene as well as organic blends.