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",

year = "2013",

doi = "10.1002/adma.201201058",

language = "English",

volume = "25",

pages = "1939--1947",

journal = "Advanced Materials",

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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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