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

doi:10.1002/adma.201201058

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

Department of Energy Conversion and Storage

Research output: Contribution to journal › Journal article › Research › peer-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 language	English
Journal	Advanced Materials
Volume	25
Issue number	13
Pages (from-to)	1939-1947
ISSN	0935-9648
DOIs	https://doi.org/10.1002/adma.201201058
Publication status	Published - 2013

Keywords

Charge transport
Conjugated polymer
Supramolecular organization
Atomistic modeling

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10.1002/adma.201201058

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Niedzialek, D., Lemaur, V., Dudenko, D., Shu, J., Hansen, M. R., Andreasen, J. W., Pisula, W., Müllen, K., Cornil, J., & Beljonne, D. (2013). Probing the Relation Between Charge Transport and Supramolecular Organization Down to Ångström Resolution in a Benzothiadiazole‐Cyclopentadithiophene Copolymer. Advanced Materials, 25(13), 1939-1947. https://doi.org/10.1002/adma.201201058

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abstract = "Molecular modeling shows that longitudinal displacement of the backbones by a couple of {\aa}ngstr{\"o}ms 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.",

keywords = "Charge transport, Conjugated polymer, Supramolecular organization, Atomistic modeling",

author = "Dorota Niedzialek and Vincent Lemaur and Dmytro Dudenko and Jie Shu and Hansen, {Michael Ryan} and Andreasen, {Jens Wenzel} and Wojciech Pisula and Klaus M{\"u}llen and J{\'e}r{\^o}me Cornil and David Beljonne",

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Niedzialek, D, Lemaur, V, Dudenko, D, Shu, J, Hansen, MR, Andreasen, JW, Pisula, W, Müllen, K, Cornil, J & Beljonne, D 2013, 'Probing the Relation Between Charge Transport and Supramolecular Organization Down to Ångström Resolution in a Benzothiadiazole‐Cyclopentadithiophene Copolymer', Advanced Materials, vol. 25, no. 13, pp. 1939-1947. https://doi.org/10.1002/adma.201201058

Probing the Relation Between Charge Transport and Supramolecular Organization Down to Ångström Resolution in a Benzothiadiazole‐Cyclopentadithiophene Copolymer. / Niedzialek, Dorota; Lemaur, Vincent; Dudenko, Dmytro et al.
In: Advanced Materials, Vol. 25, No. 13, 2013, p. 1939-1947.

Research output: Contribution to journal › Journal article › Research › peer-review

TY - JOUR

T1 - Probing the Relation Between Charge Transport and Supramolecular Organization Down to Ångström Resolution in a Benzothiadiazole‐Cyclopentadithiophene Copolymer

AU - Niedzialek, Dorota

AU - Lemaur, Vincent

AU - Dudenko, Dmytro

AU - Shu, Jie

AU - Hansen, Michael Ryan

AU - Andreasen, Jens Wenzel

AU - Pisula, Wojciech

AU - Müllen, Klaus

AU - Cornil, Jérôme

AU - Beljonne, David

PY - 2013

Y1 - 2013

N2 - 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.

AB - 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.

KW - Charge transport

KW - Conjugated polymer

KW - Supramolecular organization

KW - Atomistic modeling

U2 - 10.1002/adma.201201058

DO - 10.1002/adma.201201058

M3 - Journal article

C2 - 22711500

SN - 0935-9648

VL - 25

SP - 1939

EP - 1947

JO - Advanced Materials

JF - Advanced Materials

IS - 13

ER -

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

Abstract

Keywords

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