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Issue 39, 2008
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Modelling charge transport in organic semiconductors: from quantum dynamics to soft matter

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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.

Graphical abstract: Modelling charge transport in organic semiconductors: from quantum dynamics to soft matter

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Publication details

The article was received on 07 May 2008, accepted on 26 Jun 2008 and first published on 26 Aug 2008


Article type: Perspective
DOI: 10.1039/B807750A
Citation: Phys. Chem. Chem. Phys., 2008,10, 5941-5952
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    Modelling charge transport in organic semiconductors: from quantum dynamics to soft matter

    D. L. Cheung and A. Troisi, Phys. Chem. Chem. Phys., 2008, 10, 5941
    DOI: 10.1039/B807750A

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