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Organic semiconductors : impact of disorder at different timescales
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McMahon, David Paul and Troisi, Alessandro (2010) Organic semiconductors : impact of disorder at different timescales. ChemPhysChem, Vol.11 (No.10). pp. 2067-2074. doi:10.1002/cphc.201000182
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Official URL: http://dx.doi.org/10.1002/cphc.201000182
Abstract
The charge transport in organic materials, from molecular crystals to polymers, is determined by their degree of disorder. The dynamic disorder in ideal molecular crystals at room temperature and the static disorder in disordered polymers are just two limiting cases of the timescale of the fluctuations in the electronic Hamiltonian caused by nuclear motions. In fact, a very large number of important materials (e.g. liquid crystalline semiconductors) are actually in an intermediate regime where the disorder is neither purely static nor purely dynamic. This Minireview discusses the recent contribution of computational chemistry (molecular dynamics-and quantum chemistry) to the characterization of these transport regimes and outlines the theoretical methods that can be used to relate the system characteristics to the measurable mobility.
Item Type: | Journal Item | ||||
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Subjects: | Q Science > QC Physics Q Science > QD Chemistry T Technology > TK Electrical engineering. Electronics Nuclear engineering |
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Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry Faculty of Science, Engineering and Medicine > Science > Centre for Scientific Computing |
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Library of Congress Subject Headings (LCSH): | Organic semiconductors, Molecular dynamics -- Simulation methods, Quantum chemistry, Organic electronics | ||||
Journal or Publication Title: | ChemPhysChem | ||||
Publisher: | Wiley - V C H Verlag GmbH & Co. KGaA | ||||
ISSN: | 1439-4235 | ||||
Official Date: | 12 July 2010 | ||||
Dates: |
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Volume: | Vol.11 | ||||
Number: | No.10 | ||||
Number of Pages: | 8 | ||||
Page Range: | pp. 2067-2074 | ||||
DOI: | 10.1002/cphc.201000182 | ||||
Status: | Peer Reviewed | ||||
Publication Status: | Published | ||||
Access rights to Published version: | Restricted or Subscription Access | ||||
Funder: | Engineering and Physical Sciences Research Council (EPSRC) |
Data sourced from Thomson Reuters' Web of Knowledge
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