Crossref journal-article
Wiley
ChemPhysChem (311)
Abstract

AbstractThe charge transport in organic materials, from molecular crystals to polymers, is determined by their degree of disorder. The dynamic disorder in ideal molecular crystals at room temperature and the static disorder in disordered polymers are just two limiting cases of the timescale of the fluctuations in the electronic Hamiltonian caused by nuclear motions. In fact, a very large number of important materials (e.g. liquid crystalline semiconductors) are actually in an intermediate regime where the disorder is neither purely static nor purely dynamic. This Minireview discusses the recent contribution of computational chemistry (molecular dynamics and quantum chemistry) to the characterization of these transport regimes and outlines the theoretical methods that can be used to relate the system characteristics to the measurable mobility.

Authors 2
  1. David P. McMahon (first)
  2. Alessandro Troisi (additional)
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Dates
Type When
Created 15 years, 2 months ago (June 10, 2010, 2:39 a.m.)
Deposited 1 year, 10 months ago (Oct. 10, 2023, 4 p.m.)
Indexed 2 weeks, 4 days ago (Aug. 19, 2025, 6:21 a.m.)
Issued 15 years, 2 months ago (July 7, 2010)
Published 15 years, 2 months ago (July 7, 2010)
Published Online 15 years, 2 months ago (July 7, 2010)
Published Print 15 years, 1 month ago (July 12, 2010)
Funders 0

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@article{McMahon_2010, title={Organic Semiconductors: Impact of Disorder at Different Timescales}, volume={11}, ISSN={1439-7641}, url={http://dx.doi.org/10.1002/cphc.201000182}, DOI={10.1002/cphc.201000182}, number={10}, journal={ChemPhysChem}, publisher={Wiley}, author={McMahon, David P. and Troisi, Alessandro}, year={2010}, month=jul, pages={2067–2074} }