Issue 39, 2008

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

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

Article information

Article type
Perspective
Submitted
07 May 2008
Accepted
26 Jun 2008
First published
26 Aug 2008

Phys. Chem. Chem. Phys., 2008,10, 5941-5952

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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