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Smart Materials Series
Supramolecular Materials for Opto-ElectronicsCheck Access
Edited by
Norbert Koch
Norbert Koch
Humboldt University of Berlin, Germany
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Hardback ISBN:
978-1-84973-826-2
PDF ISBN:
978-1-78262-694-7
EPUB ISBN:
978-1-78262-352-6
No. of Pages:
369
Published online:
07 Nov 2014
Published in print:
20 Nov 2014
Book Chapter
CHAPTER 9: Simulations of Morphology and Charge Transport in Supramolecular Organic Materials Check Access
By
Denis Andrienko
Denis Andrienko
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Published:07 Nov 2014
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Page range:
309 - 362
Citation
D. Andrienko, in Supramolecular Materials for Opto-Electronics, ed. N. Koch, The Royal Society of Chemistry, 2014, pp. 309-362.
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In this chapter, we describe the current state of the art of microscopic charge transport simulations in partially ordered and disordered organic semiconductors, including simulations of atomistic morphologies, evaluation of electronic couplings, driving forces, charge transfer rates, and charge carrier mobilities. Special attention is paid to finite-size effects, long-range interactions, and charge localization.
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