Probing the Relation Between Charge Transport and Supramolecular Organization Down to Ångström Resolution in a Benzothiadiazole‐Cyclopentadithiophene Copolymer

Dorota Niedzialek, Vincent Lemaur, Dmytro Dudenko, Jie Shu, Michael Ryan Hansen, Jens Wenzel Andreasen, Wojciech Pisula, Klaus Müllen, Jérôme Cornil, David Beljonne

Research output: Contribution to journalJournal articleResearchpeer-review

Abstract

Molecular modeling shows that longitudinal displacement of the backbones by a couple of ångströms has a profound impact on the electronic coupling mediating charge transport in a conjugated copolymer. These changes can be probed by monitoring the calculated X-ray scattering patterns and NMR chemical shifts as a function of sliding of the polymer chains and comparing them to experiment.
Original languageEnglish
JournalAdvanced Materials
Volume25
Issue number13
Pages (from-to)1939-1947
ISSN0935-9648
DOIs
Publication statusPublished - 2013

Keywords

  • Charge transport
  • Conjugated polymer
  • Supramolecular organization
  • Atomistic modeling

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