Modelling charge transport in organic semiconductors : from quantum dynamics to soft matter
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. ISSN 1463-9076Full text not available from this repository.
Official URL: http://dx.doi.org/10.1039/b807750a
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
|Divisions:||Faculty of Science > Chemistry
Faculty of Science > Centre for Scientific Computing
|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|
|Number of Pages:||12|
|Page Range:||pp. 5941-5952|
|Funder:||Engineering and Physical Sciences Research Council (EPSRC)|
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