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© 2025. This work is published under http://creativecommons.org/licenses/by/4.0/ (the "License"). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.

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.

Details

Title
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
Lee, Kun‐Mu 1 ; Lin, Chia‐Hui 2 ; Chang, Chia‐Chi 2 ; Yang, Ting‐Yu 2 ; Chiu, Wei‐Hao 3 ; Chu, Wei‐Chen 4 ; Chang, Ya‐Ho 3 ; Li, Sie‐Rong 5 ; Lu, Shih‐I 2 ; Hsieh, Hsiao‐Chi 6 ; Liau, Kang‐Ling 7 ; Hu, Chia Hui 2 ; Chen, Chih‐Hung 8 ; Liu, Yun‐Shuo 2 ; Chou, Wei‐Chun 2 ; Lee, Mandy M. 5 ; Sun, Shih‐Sheng 5 ; Tao, Yu‐Tai 5 ; Lin, Yan‐Duo 2   VIAFID ORCID Logo 

 Department of Chemical and Materials Engineering, Chang Gung University, Taoyuan, Taiwan, Center for Sustainability and Energy Technologies, Chang Gung University, Taoyuan, Taiwan, Division of Neonatology, Department of Pediatrics, Chang Gung Memorial Hospital, Taoyuan, Taiwan, College of Environment and Resources, Ming Chi University of Technology, New Taipei City, Taiwan 
 Department of Chemistry, Soochow University, Taipei, Taiwan 
 Center for Sustainability and Energy Technologies, Chang Gung University, Taoyuan, Taiwan 
 Department of Chemical and Materials Engineering, Chang Gung University, Taoyuan, Taiwan 
 Institute of Chemistry, Academia Sinica, Taipei, Taiwan 
 Department of Chemical and Materials Engineering, Tamkang University, New Taipei City, Taiwan 
 Department of Chemistry, National Central University, Taoyuan, Taiwan 
 Department of Materials Science and Engineering, National Taiwan University of Science and Technology, Taipei, Taiwan 
Section
Research Article
Publication year
2025
Publication date
Jan 1, 2025
Publisher
John Wiley & Sons, Inc.
e-ISSN
21983844
Source type
Scholarly Journal
Language of publication
English
ProQuest document ID
3157119495
Copyright
© 2025. This work is published under http://creativecommons.org/licenses/by/4.0/ (the "License"). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.