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Modelling charge transport in organic semiconductors : from quantum dynamics to soft matter
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Cheung, David L. and Troisi, Alessandro (2008) Modelling charge transport in organic semiconductors : from quantum dynamics to soft matter. Physical Chemistry Chemical Physics, Vol.10 (No.39). pp. 5941-5952. doi:10.1039/b807750a
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Official URL: http://dx.doi.org/10.1039/b807750a
Abstract
The charge carrier dynamics in organic semiconductors has been traditionally discussed with the models used in inorganic crystalline and amorphous solids but this analogy has severe limitations because of the more complicated role of nuclear motions in organic materials. In this perspective, we discuss how a new approach to the modelling of charge transport is emerging from the alliance between the conventional quantum chemical methods and the methods more traditionally used in soft-matter modelling. After describing the conventional limit cases of charge transport we discuss the problems arising from the comparison of the theory with the experimental and computational results. Several recent applications of numerical methods based on the propagation of the wavefunction or kinetic Monte Carlo methods on soft semiconducting materials are reviewed.
| Item Type: | Journal Item | ||||
|---|---|---|---|---|---|
| Subjects: | Q Science > QD Chemistry Q Science > QC Physics |
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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, Charge transfer -- Mathematical models | ||||
| Journal or Publication Title: | Physical Chemistry Chemical Physics | ||||
| Publisher: | Royal Society of Chemistry | ||||
| ISSN: | 1463-9076 | ||||
| Official Date: | 2008 | ||||
| Dates: |
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| Volume: | Vol.10 | ||||
| Number: | No.39 | ||||
| Number of Pages: | 12 | ||||
| Page Range: | pp. 5941-5952 | ||||
| DOI: | 10.1039/b807750a | ||||
| Status: | Peer Reviewed | ||||
| Publication Status: | Published | ||||
| Funder: | Engineering and Physical Sciences Research Council (EPSRC) |
Data sourced from Thomson Reuters' Web of Knowledge
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