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
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 subst...
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Wiley
2025-01-01
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| Series: | Advanced Science |
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| Online Access: | https://doi.org/10.1002/advs.202410666 |
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| author | Kun‐Mu Lee Chia‐Hui Lin Chia‐Chi Chang Ting‐Yu Yang Wei‐Hao Chiu Wei‐Chen Chu Ya‐Ho Chang Sie‐Rong Li Shih‐I Lu Hsiao‐Chi Hsieh Kang‐Ling Liau Chia Hui Hu Chih‐Hung Chen Yun‐Shuo Liu Wei‐Chun Chou Mandy M. Lee Shih‐Sheng Sun Yu‐Tai Tao Yan‐Duo Lin |
| author_facet | Kun‐Mu Lee Chia‐Hui Lin Chia‐Chi Chang Ting‐Yu Yang Wei‐Hao Chiu Wei‐Chen Chu Ya‐Ho Chang Sie‐Rong Li Shih‐I Lu Hsiao‐Chi Hsieh Kang‐Ling Liau Chia Hui Hu Chih‐Hung Chen Yun‐Shuo Liu Wei‐Chun Chou Mandy M. Lee Shih‐Sheng Sun Yu‐Tai Tao Yan‐Duo Lin |
| author_sort | Kun‐Mu Lee |
| collection | DOAJ |
| description | 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. |
| format | Article |
| id | doaj-art-2f83329273b84c78ba09c60570e61705 |
| institution | Kabale University |
| issn | 2198-3844 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Advanced Science |
| spelling | doaj-art-2f83329273b84c78ba09c60570e617052025-01-20T13:04:19ZengWileyAdvanced Science2198-38442025-01-01123n/an/a10.1002/advs.202410666Judicious Molecular Design of 5H‑Dithieno[3,2‑b:2′,3′‑d]Pyran‐based Hole‐Transporting Materials for Highly Efficient and Stable Perovskite Solar CellsKun‐Mu Lee0Chia‐Hui Lin1Chia‐Chi Chang2Ting‐Yu Yang3Wei‐Hao Chiu4Wei‐Chen Chu5Ya‐Ho Chang6Sie‐Rong Li7Shih‐I Lu8Hsiao‐Chi Hsieh9Kang‐Ling Liau10Chia Hui Hu11Chih‐Hung Chen12Yun‐Shuo Liu13Wei‐Chun Chou14Mandy M. Lee15Shih‐Sheng Sun16Yu‐Tai Tao17Yan‐Duo Lin18Department of Chemical and Materials Engineering Chang Gung University Taoyuan 33302 TaiwanDepartment of Chemistry Soochow University Taipei 11102 TaiwanDepartment of Chemistry Soochow University Taipei 11102 TaiwanDepartment of Chemistry Soochow University Taipei 11102 TaiwanCenter for Sustainability and Energy Technologies Chang Gung University Taoyuan 33302 TaiwanDepartment of Chemical and Materials Engineering Chang Gung University Taoyuan 33302 TaiwanCenter for Sustainability and Energy Technologies Chang Gung University Taoyuan 33302 TaiwanInstitute of Chemistry Academia Sinica Taipei 115024 TaiwanDepartment of Chemistry Soochow University Taipei 11102 TaiwanDepartment of Chemical and Materials Engineering Tamkang University New Taipei City 24301 TaiwanDepartment of Chemistry National Central University Taoyuan 32001 TaiwanDepartment of Chemistry Soochow University Taipei 11102 TaiwanDepartment of Materials Science and Engineering National Taiwan University of Science and Technology Taipei 106335 TaiwanDepartment of Chemistry Soochow University Taipei 11102 TaiwanDepartment of Chemistry Soochow University Taipei 11102 TaiwanInstitute of Chemistry Academia Sinica Taipei 115024 TaiwanInstitute of Chemistry Academia Sinica Taipei 115024 TaiwanInstitute of Chemistry Academia Sinica Taipei 115024 TaiwanDepartment of Chemistry Soochow University Taipei 11102 TaiwanAbstract 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.https://doi.org/10.1002/advs.202410666dithienopyran‐based derivativesfluorine‐substituted small moleculehole‐transporting materialslong‐term stabilityperovskite solar cellsphoto‐energy conversion |
| spellingShingle | Kun‐Mu Lee Chia‐Hui Lin Chia‐Chi Chang Ting‐Yu Yang Wei‐Hao Chiu Wei‐Chen Chu Ya‐Ho Chang Sie‐Rong Li Shih‐I Lu Hsiao‐Chi Hsieh Kang‐Ling Liau Chia Hui Hu Chih‐Hung Chen Yun‐Shuo Liu Wei‐Chun Chou Mandy M. Lee Shih‐Sheng Sun Yu‐Tai Tao Yan‐Duo Lin 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 Advanced Science dithienopyran‐based derivatives fluorine‐substituted small molecule hole‐transporting materials long‐term stability perovskite solar cells photo‐energy conversion |
| 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 |
| title_full | 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 |
| title_fullStr | 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 |
| title_full_unstemmed | 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 |
| title_short | 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 |
| title_sort | 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 |
| topic | dithienopyran‐based derivatives fluorine‐substituted small molecule hole‐transporting materials long‐term stability perovskite solar cells photo‐energy conversion |
| url | https://doi.org/10.1002/advs.202410666 |
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