Regensburg 2016 – wissenschaftliches Programm
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 30: Poster: Organic Electronics and Photovoltaics
CPP 30.10: Poster
Dienstag, 8. März 2016, 18:15–21:00, Poster B2
Disorder effects on Charge Transport in Rubrene Crystals — •Michel Panhans1, Desanka Boskovic2, Pablo Ordejón2,3, and Frank Ortmann1 — 1Institute for Material Science and Dresden Center for Computational Material Science, Technische Universität Dresden, 01062 Dresden, DE — 2ICN2 - Institut Catala de Nanociencia i Nanotecnologia, 08193 Bellaterra, ES — 3CSIC - Consejo Superior de Investigaciones Cientificas, 08193 Bellaterra, ES
The understanding of charge transport in small-molecule organic semiconductors challenges both experimental and theoretical approaches since many years. This is mainly because transport phenomena in organic semiconductors are strongly influenced by vibrations and disorder effects (such as traps, dopants, structural disorder, etc.).
We present a charge transport approach based on ab initio calculations of all relevant parameters of the small molecules that tackles electron-phonon interactions both quantum-mechanically and semi-classically and includes disorder effects by suitable real space models.
The p-type charge transport in rubrene single-crystals FET’s serves as a test case that provides a valuable reference for comparison with our charge transport simulations of rubrene crystals. Based on the present theory we studied band-like transport and phonon assisted hopping transport in the presence of two different sources of disorder and compared them quantitatively to existing experimental data. The analysis of both models illustrates important aspects of transport mechanisms occurring in organic small-molecule semiconductors.