Fluoro-Modulated Molecular Geometry in Diketopyrrolopyrrole-Based Low-Bandgap Copolymers for Tuning the Photovoltaic Performance

Fluorination of conjugated polymers is an effective strategy to tune the energy levels for obtaining high power conversion efficiency (PCE) in organic solar cells. In this work, we have developed fluoro-modulated molecular geometries in diketopyrrolopyrrole based low-bandgap copolymers. In these pol...

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Main Authors: Cai'e Zhang, Yahui Liu, Jia Tu, Shouli Ming, Xinjun Xu, Zhishan Bo
Format: Article
Language:English
Published: Frontiers Media S.A. 2019-05-01
Series:Frontiers in Chemistry
Subjects:
Online Access:https://www.frontiersin.org/article/10.3389/fchem.2019.00333/full
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author Cai'e Zhang
Yahui Liu
Jia Tu
Shouli Ming
Xinjun Xu
Zhishan Bo
author_facet Cai'e Zhang
Yahui Liu
Jia Tu
Shouli Ming
Xinjun Xu
Zhishan Bo
author_sort Cai'e Zhang
collection DOAJ
description Fluorination of conjugated polymers is an effective strategy to tune the energy levels for obtaining high power conversion efficiency (PCE) in organic solar cells. In this work, we have developed fluoro-modulated molecular geometries in diketopyrrolopyrrole based low-bandgap copolymers. In these polymers, planar conformation can be locked by intramolecular non-covalent interaction (intramolecular supramolecular interaction) between the sulfur atoms and the introduced F atoms (F···S interaction). By varying the fluorinated moieties, such a planarity can be disturbed and the molecular geometry is tuned. As a result, the polymer' properties can be modulated, including the ultraviolet-visible absorption spectrum to become broaden, charge mobility to be enhanced, open-circuit voltage (Voc) and short-circuited current (Jsc) to be elevated, and thus photovoltaic performance to be improved. The photovoltaic device based on PCFB, one of the fluorinated terpolymers, exhibited a high PCE near 8.5% with simultaneously enhanced Voc and Jsc relative to the non-fluorinated one (PCB).
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spelling doaj.art-64ad9b832baa433e8f6f475db0ba81582022-12-21T18:39:38ZengFrontiers Media S.A.Frontiers in Chemistry2296-26462019-05-01710.3389/fchem.2019.00333456893Fluoro-Modulated Molecular Geometry in Diketopyrrolopyrrole-Based Low-Bandgap Copolymers for Tuning the Photovoltaic PerformanceCai'e ZhangYahui LiuJia TuShouli MingXinjun XuZhishan BoFluorination of conjugated polymers is an effective strategy to tune the energy levels for obtaining high power conversion efficiency (PCE) in organic solar cells. In this work, we have developed fluoro-modulated molecular geometries in diketopyrrolopyrrole based low-bandgap copolymers. In these polymers, planar conformation can be locked by intramolecular non-covalent interaction (intramolecular supramolecular interaction) between the sulfur atoms and the introduced F atoms (F···S interaction). By varying the fluorinated moieties, such a planarity can be disturbed and the molecular geometry is tuned. As a result, the polymer' properties can be modulated, including the ultraviolet-visible absorption spectrum to become broaden, charge mobility to be enhanced, open-circuit voltage (Voc) and short-circuited current (Jsc) to be elevated, and thus photovoltaic performance to be improved. The photovoltaic device based on PCFB, one of the fluorinated terpolymers, exhibited a high PCE near 8.5% with simultaneously enhanced Voc and Jsc relative to the non-fluorinated one (PCB).https://www.frontiersin.org/article/10.3389/fchem.2019.00333/fulldiketopyrrolopyrrolefluorinationsupramolecular interactionpolymer solar cellphotovoltaic performance
spellingShingle Cai'e Zhang
Yahui Liu
Jia Tu
Shouli Ming
Xinjun Xu
Zhishan Bo
Fluoro-Modulated Molecular Geometry in Diketopyrrolopyrrole-Based Low-Bandgap Copolymers for Tuning the Photovoltaic Performance
Frontiers in Chemistry
diketopyrrolopyrrole
fluorination
supramolecular interaction
polymer solar cell
photovoltaic performance
title Fluoro-Modulated Molecular Geometry in Diketopyrrolopyrrole-Based Low-Bandgap Copolymers for Tuning the Photovoltaic Performance
title_full Fluoro-Modulated Molecular Geometry in Diketopyrrolopyrrole-Based Low-Bandgap Copolymers for Tuning the Photovoltaic Performance
title_fullStr Fluoro-Modulated Molecular Geometry in Diketopyrrolopyrrole-Based Low-Bandgap Copolymers for Tuning the Photovoltaic Performance
title_full_unstemmed Fluoro-Modulated Molecular Geometry in Diketopyrrolopyrrole-Based Low-Bandgap Copolymers for Tuning the Photovoltaic Performance
title_short Fluoro-Modulated Molecular Geometry in Diketopyrrolopyrrole-Based Low-Bandgap Copolymers for Tuning the Photovoltaic Performance
title_sort fluoro modulated molecular geometry in diketopyrrolopyrrole based low bandgap copolymers for tuning the photovoltaic performance
topic diketopyrrolopyrrole
fluorination
supramolecular interaction
polymer solar cell
photovoltaic performance
url https://www.frontiersin.org/article/10.3389/fchem.2019.00333/full
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AT yahuiliu fluoromodulatedmoleculargeometryindiketopyrrolopyrrolebasedlowbandgapcopolymersfortuningthephotovoltaicperformance
AT jiatu fluoromodulatedmoleculargeometryindiketopyrrolopyrrolebasedlowbandgapcopolymersfortuningthephotovoltaicperformance
AT shouliming fluoromodulatedmoleculargeometryindiketopyrrolopyrrolebasedlowbandgapcopolymersfortuningthephotovoltaicperformance
AT xinjunxu fluoromodulatedmoleculargeometryindiketopyrrolopyrrolebasedlowbandgapcopolymersfortuningthephotovoltaicperformance
AT zhishanbo fluoromodulatedmoleculargeometryindiketopyrrolopyrrolebasedlowbandgapcopolymersfortuningthephotovoltaicperformance