DOI: 10.1002/mats.201000061. Rational Design of Poly(2,7‐Carbazole) Derivatives for Photovoltaic Applications

Rational Design of Poly(2,7‐Carbazole) Derivatives for Photovoltaic Applications

10.1002/mats.201000061

Crossref journal-article

Wiley

Macromolecular Theory and Simulations (311)

Abstract

AbstractA reliable model that can be used to estimate the electronic properties (i.e., the HOMO, LUMO, and band gap energies) of conjugated polymers would be a great tool for applications in organic electronics such as light‐emitting diodes, field‐effect transistors, and photovoltaic cells. Recently, poly(2,7‐carbazole) derivatives have shown promising results when used as an active donor layer in bulk heterojunction photovoltaic cells with power conversion efficiency exceeding 7%. By using a simple correlation between density functional theory (DFT) theoretical calculations performed on six model compounds (using the repeating unit) and experimental data from the six corresponding polymers, an accurate estimation of the HOMO energy level, the LUMO energy levels, and the band gap of several poly(2,7‐carbazole) derivatives was obtained. According to the theoretical data obtained for more than one hundred repeating units, fourteen new copolymers that can be used as p‐type materials in bulk heterojunction solar cells were selected and synthesized. Experimental data obtained from these materials were then used to refine the correlation between DFT and experimental data of poly(2,7‐carbazole) derivatives. magnified image

Bibliography

BeauprÃ©, S., BelletÃªte, M., Durocher, G., & Leclerc, M. (2010). Rational Design of Poly(2,7âCarbazole) Derivatives for Photovoltaic Applications. Macromolecular Theory and Simulations, 20(1), 13â18. Portico.

Authors 4

Serge Beaupré (first)
Michel Belletête (additional)
Gilles Durocher (additional)
Mario Leclerc (additional)

References 30 Referenced 32

10.1021/cr050149z
10.1002/anie.200702506
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N.Blouin Thèse de Doctorat“Conception synthèse et caractérisation de poly(2 7‐carbazole)s et poly(indolo[3 2‐B]carbazole)s pour des applications en électronique organique” 2008 Editions Université Laval
T. Y.Chu S.Alem P. G.Verly S.Wakim S. C.Tse J.Lu Y.Tao S.Beaupré M.Leclerc F.Bélanger D.Désilets S.Rodman R.Gaudiana 26th European Photovoltaic Solar Energy Conference and Exhibition Hamburg Germany2010.

Dates

Type	When
Created	14 years, 8 months ago (Dec. 8, 2010, 11:31 a.m.)
Deposited	1 year, 10 months ago (Oct. 16, 2023, 1:26 a.m.)
Indexed	6 months ago (Feb. 20, 2025, 9:26 p.m.)
Issued	14 years, 8 months ago (Dec. 8, 2010)
Published	14 years, 8 months ago (Dec. 8, 2010)
Published Online	14 years, 8 months ago (Dec. 8, 2010)
Published Print	14 years, 7 months ago (Jan. 20, 2011)

Funders 3

NSERC 10.13039/501100000038 Natural Sciences and Engineering Research Council of Canada
Region: Americas
gov (National government)
Labels3
1. Conseil de Recherches en Sciences Naturelles et en Génie du Canada
2. NSERC
3. CRSNG
Sustainable Development Technology Canada (SDTC) program
Defence Research and Development Canada, Valcartier, Quebec, Canada

BibTeX

@article{Beaupr__2010, title={Rational Design of Poly(2,7‐Carbazole) Derivatives for Photovoltaic Applications}, volume={20}, ISSN={1521-3919}, url={http://dx.doi.org/10.1002/mats.201000061}, DOI={10.1002/mats.201000061}, number={1}, journal={Macromolecular Theory and Simulations}, publisher={Wiley}, author={Beaupré, Serge and Belletête, Michel and Durocher, Gilles and Leclerc, Mario}, year={2010}, month=dec, pages={13–18} }

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