International Journal Publication

Judicious Molecular Design of 5H‑Dithieno[3,2‑b:2′,3′‑d]Pyran-based Hole-Transporting Materials for Highly Efficient and Stable Perovskite Solar Cells

Author affiliations and roles
  1. a1 Department of Chemical and Materials Engineering Chang Gung University Taoyuan 33302 Taiwan
  2. b2 Center for Sustainability and Energy Technologies Chang Gung University Taoyuan 33302 Taiwan
  3. c3 Division of Neonatology Department of Pediatrics Chang Gung Memorial Hospital Linkou Taoyuan 33305 Taiwan
  4. d4 College of Environment and Resources Ming Chi University of Technology New Taipei City 24301 Taiwan
  5. e5 Department of Chemistry Soochow University Taipei 11102 Taiwan
  6. f6 Institute of Chemistry Academia Sinica Taipei 115024 Taiwan
  7. g7 Department of Chemical and Materials Engineering Tamkang University New Taipei City 24301 Taiwan
  8. h8 Department of Chemistry National Central University Taoyuan 32001 Taiwan
  9. i9 Department of Materials Science and Engineering National Taiwan University of Science and Technology Taipei 106335 Taiwan
  • *Corresponding author: Lin, Yan-Duo.

Advanced Science, 12, 2410666 (2025).

Research topic: Hole-Transporting Materials

Abstract

The structural modification of hole-transporting materials (HTMs) is an effective strategy for enhancing photovoltaic performance in perovskite solar cells (PSCs). Herein, a series of dithienopyran (DTP)-based HTMs (Me-H, Ph-H, CF3-H, CF3-mF, and CF3-oF) is designed and synthesized by substituting different functional groups on the DTP unit and are used fabricating PSCs. In comparison with Me-H having two methyl substituents on the dithienopyrano ring, the Ph-H having two phenyl substituents on the ring exhibits higher PCEs. Notably, the incorporation of trifluoromethyl groups in CF3-H endows the molecule with a larger dipole moment, deeper HOMO energy level, better film morphology, closer molecular stacking, more efficient defect-passivation, enhanced hydrophobicity, and better photovoltaic performance when compared with the Ph-H counterpart. Furthermore, the HTMs of CF3-mF and CF3-oF, which feature fluorine-substituted triphenylamine, demonstrated excellent film-forming properties, more suitable energy levels, enhanced charge mobility, and improved passivation of the buried interface between HTMs and perovskite. As a result, PSCs employing CF3-mF and CF3-oF gave impressive PCEs of 23.41 and 24.13%, respectively. In addition, the large-area (1.00 cm2) PSCs based on CF3-oF achieved a PCE of 22.31%. Moreover, the PSCs devices with CF3 series HTMs exhibited excellent long-term stability under different conditions.

Keywords

dithienopyran-based derivativesfluorine-substituted small moleculehole-transporting materialslong-term stabilityperovskite solar cellsphoto-energy conversion

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Articles citing this work

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