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  3. Noncovalent Macrocyclic Encapsulation Via Terminal "dynamic Locking" Enabling High-performance Nonfused Ring Electron Acceptors.
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  3. Noncovalent Macrocyclic Encapsulation Via Terminal "dynamic Locking" Enabling High-performance Nonfused Ring Electron Acceptors.

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Noncovalent Macrocyclic Encapsulation via Terminal "Dynamic Locking" Enabling High-Performance Nonfused Ring Electron

Yuanyuan Zhou1,2, Qianqian Zhu1, Nan Wei3

  • 1School of Materials Science and Engineering, Henan Engineering Research Center for Flexible Composite and Intelligent Devices, Henan Normal University, Xinxiang 453007, China.

Journal of the American Chemical Society
|June 4, 2026

View abstract on PubMed

Summary
This summary is machine-generated.

Designing high-performance nonfused ring electron acceptors (NFREAs) is challenging. A novel macrocyclic encapsulation strategy using phenyl terminal chains on the 3TT core enhances charge transport and boosts organic solar cell efficiency to 18.40%.

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Area of Science:

  • Materials Science
  • Organic Electronics
  • Supramolecular Chemistry

Background:

  • Designing high-performance nonfused ring electron acceptors (NFREAs) is critical for advancing organic solar cells (OSCs).
  • Achieving efficient charge transport necessitates precise control over molecular packing and aggregation.
  • Current NFREA designs face challenges in optimizing these properties.

Purpose of the Study:

  • To develop a novel molecular strategy for high-performance NFREAs.
  • To investigate the effect of noncovalent macrocyclic encapsulation on charge transport and device performance.
  • To synthesize and characterize a new NFREA, 3TT-Ph1, utilizing this strategy.

Main Methods:

  • Designed and synthesized 3TT-Ph1 featuring terminal phenyl lateral chains on a trithieno[3,2-b]thiophene (3TT) core.
  • Utilized C-H···π and π-π interactions for intramolecular macrocyclic locking.
  • Fabricated organic solar cells using D18:3TT-Ph1 and evaluated their performance.

    • Main Results:

    • The synthesized 3TT-Ph1 demonstrated effective charge transport due to the encapsulated core and dynamic locking.
    • Devices based on D18:3TT-Ph1 achieved a champion power conversion efficiency (PCE) of 18.40%.
    • This represents a significant improvement over control molecules (42% and 19% enhancement).

    Conclusions:

    • Noncovalent macrocyclic encapsulation via aromatic functionalization is a viable strategy for designing high-performance NFREAs.
    • This approach enables efficient charge transport channels and good solution processability.
    • The developed NFREA design offers a promising pathway for next-generation organic solar cells.