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

David Cheung, Alessandro Troisi

Research output: Contribution to journalArticle

111 Citations (Scopus)

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.
LanguageEnglish
Pages5941-5952
Number of pages12
JournalPhysical Chemistry Chemical Physics
Volume10
Issue number39
DOIs
Publication statusPublished - 26 Aug 2008

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Semiconducting organic compounds
organic semiconductors
organic materials
Monte Carlo method
Charge transfer
charge carriers
emerging
propagation
kinetics
Wave functions
Charge carriers
Numerical methods
Monte Carlo methods
Crystalline materials
Kinetics

Keywords

  • charge carrier dynamics
  • organic semiconductor
  • inorganic crystalline

Cite this

Cheung, David ; Troisi, Alessandro. / Modelling charge transport in organic semiconductors : from quantum dynamics to soft matter. In: Physical Chemistry Chemical Physics. 2008 ; Vol. 10, No. 39. pp. 5941-5952.
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Modelling charge transport in organic semiconductors : from quantum dynamics to soft matter. / Cheung, David; Troisi, Alessandro.

In: Physical Chemistry Chemical Physics, Vol. 10, No. 39, 26.08.2008, p. 5941-5952.

Research output: Contribution to journalArticle

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