Modulating Molecular Electrostatic Potential Unlocks Efficient Exciton Dissociation in A-D-A-type Narrow Bandgap Acceptors-based Organic Solar Cells

Jin Li; Ping Jiang; Hao-Jia Ding; Ming-Tao Liu; Yue Zhen; Dan Liu; Jia-Nan Fang; Pei-Pei Zhu; Shen-Bo Zhu; Hua-Wei Hu; Xun-Fan Liao; Yi-Wang Chen

doi:10.1007/s10118-026-3655-0

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Modulating Molecular Electrostatic Potential Unlocks Efficient Exciton Dissociation in A-D-A-type Narrow Bandgap Acceptors-based Organic Solar Cells

RESEARCH ARTICLE | Updated：2026-03-26

- Modulating Molecular Electrostatic Potential Unlocks Efficient Exciton Dissociation in A-D-A-type Narrow Bandgap Acceptors-based Organic Solar Cells
  Enhanced Publication
- Modulating Molecular Electrostatic Potential Unlocks Efficient Exciton Dissociation in A-D-A-type Narrow Bandgap Acceptors-based Organic Solar Cells
- Chinese Journal of Polymer Science 2026年44卷第8期页码：2534-2548
- Affiliations：
  
  a.Key Laboratory of Fluorine and Silicon for Energy Materials and Chemistry of Ministry of Education/National Engineering Research Center for Carbohydrate Synthesis, College of Chemistry and Materials, Jiangxi Normal University, Nanchang 330022, China
  b.State Key Laboratory of Advanced Fiber Materials & College of Materials Science and Engineering, Donghua University, Shanghai 201620, China
  c.College of Chemistry and Materials, Gannan Normal University, Ganzhou 341000, China
- Author bio：
  
  ppzhu@jxnu.edu.cn (P.P.Z.)
  xfliao@jxnu.edu.cn (X.F.L.)
  ywchen@ncu.edu.cn (Y.W.C.)
- Funds：
  
  This work was financially supported by the National Natural Science Foundation of China (Nos. 52553004, 52333006, 22479066 and 52527804).;The authors declare no interest conflict.Electronic supplementary information (ESI) is available free of charge in the online version of this article at http://doi.org/10.1007/s10118-026-3655-0.Data supporting the findings of this study are available from the corresponding author upon reasonable request.
- DOI：10.1007/s10118-026-3655-0
  中图分类号：
- 收稿：2025-12-29，
  
  录用：2026-03-10，
  
  网络首发：2026-06-22，
  
  纸质出版：2026-08-15
- Accepted：
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Li, J.; Jiang, P.; Ding, H. J.; Liu, M. T.; Zhen, Y.; Liu, D.; Fang, J. N.; Zhu, P. P.; Zhu, S. B.; Hu, H. W.; Liao, X. F.; Chen, Y. W. Modulating molecular electrostatic potential unlocks efficient exciton dissociation in A-D-A-type narrow bandgap acceptors-based organic solar cells. Chinese J. Polym. Sci. 2026, 44, 2534–2548

Jin Li, Ping Jiang, Hao-Jia Ding, et al. Modulating Molecular Electrostatic Potential Unlocks Efficient Exciton Dissociation in A-D-A-type Narrow Bandgap Acceptors-based Organic Solar Cells[J]. Chinese Journal of Polymer Science, 2026, 44(8): 2534-2548.
Li, J.; Jiang, P.; Ding, H. J.; Liu, M. T.; Zhen, Y.; Liu, D.; Fang, J. N.; Zhu, P. P.; Zhu, S. B.; Hu, H. W.; Liao, X. F.; Chen, Y. W. Modulating molecular electrostatic potential unlocks efficient exciton dissociation in A-D-A-type narrow bandgap acceptors-based organic solar cells. Chinese J. Polym. Sci. 2026, 44, 2534–2548 DOI： 10.1007/s10118-026-3655-0.

Jin Li, Ping Jiang, Hao-Jia Ding, et al. Modulating Molecular Electrostatic Potential Unlocks Efficient Exciton Dissociation in A-D-A-type Narrow Bandgap Acceptors-based Organic Solar Cells[J]. Chinese Journal of Polymer Science, 2026, 44(8): 2534-2548. DOI： 10.1007/s10118-026-3655-0.

摘要

This work demonstrates that central-core side-chain fluorination effectively enhances the molecular electrostatic potential of A-D-A-type narrow-bandgap fused-ring electron acceptors

leading to strengthened intermolecular interactions and efficient exciton dissociation

ultimately achieving a power conversion efficiency of 13.32%

which is among the highest performances in this category-based organic solar cells.

Abstract

Multithiophene-based fused-ring electron acceptors (MFREAs) have demonstrated remarkable performance not only in organic solar cells

but also in other optoelectronic devices owing to their extended near-infrared absorption. However

an insufficient electrostatic potential (ESP) difference with the donor results in a weak intermolecular electric field (IEF)

which leads to low exciton dissociation efficiency. In addition

the narrow bandgap causes substantial energy loss (

loss

)

thereby restricting the open-circuit voltage. To address these problems

we developed two novel MFREAs

6TFIC-C11-4F and 6TFIC-C11-4Cl

which were developed from the typical molecule 6TIC-4F

via

central-core side-chain fluorination and terminal chlorination. Although core fluorination slightly attenuated the intramolecular charge transfer (ICT) effect

this strategy significantly increased the overall average ESP value

strengthening the donor-acceptor IEF

thereby facilitating exciton dissociation. Terminal chlorination enhanced the ICT effect

resulting in a red-shifted absorption spectrum and stronger IEF. Notably

6TFIC-C11-4F exhibited increased intermolecular interactions and reduced

stacking distances

leading to better charge transport. As a result

the PM6:6TFIC-C11-4F device achieved a decent power conversion efficiency of 13.32%

significantly outperforming the PM6:6TIC-4F device (10.52%). In addition

the PM6:6TFIC-C11-4Cl device demonstrated reduced

loss

and a higher short-circuit current density

validating the potential of central-core side-chain fluorination and terminal chlorination in designing high-performance MFREAs.

关键词

Keywords

references

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