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Journal article

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

By Niedzialek, Dorota1; Lemaur, Vincent1; Dudenko, Dmytro2; Shu, Jie2; Hansen, Michael Ryan2; Andreasen, Jens Wenzel3,4; Pisula, Wojciech2; Müllen, Klaus2; Cornil, Jérôme1; Beljonne, David1

From

University of Mons1

Max Planck Institute2

Department of Energy Conversion and Storage, Technical University of Denmark3

Imaging and Structural Analysis, Department of Energy Conversion and Storage, Technical University of Denmark4

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.

Language: English
Publisher: WILEY‐VCH Verlag
Year: 2013
Pages: 1939-1947
ISSN: 09359648 , 15214095 , 15213862 and 09481907
Types: Journal article
DOI: 10.1002/adma.201201058
ORCIDs: Andreasen, Jens Wenzel
Keywords

Atomistic modeling Charge transport Conjugated polymer Supramolecular organization

Other keywords

Macromolecular Substances Models, Molecular Molecular Structure Polymers Thiadiazoles Thiophenes atomistic modeling benzo-1,2,3-thiadiazole charge transport conjugated polymer supramolecular organization

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