journal article·2026Open access

TICT caused quenching in organic semiconductors

Bei Yang, Chunyang Yin, Yuze Lin, Jianhui Hou, Shaoqing Zhang, Zhiguo Zhang, Jun Yuan, Yingping Zou, Feng Liu, Xiaozhang Zhu, Xiaoke Liu, Yahui Liu, Jun Liu, Hongliang Zhong, Xin Guo, Long Ye, Shuixing Li, Hongzheng Chen, Feng Gao

Abstract

A mechanistic understanding of how molecular structure governs photoluminescence quantum yield (PLQY) in non-fullerene acceptors (NFAs) remains elusive, hindering further progress in organic solar cells. Here, we report a comprehensive study of nearly 100 organic semiconductors—primarily NFAs—with emission peaks spanning 550-1000 nm and PLQY values ranging from < 0.01 to > 0.70. We find that the commonly used structural, photophysical, and quantum descriptors fail to account for the observed variations. Instead, we identify the twisted intramolecular charge transfer (TICT) state as the primary quenching pathway. Through a combination of experimental spectroscopy, quantum calculations, and exciton decay dynamics, we show that TICT acts as a dark state on the first excited-state potential energy surface, leading to suppressed PLQY and multi-exponential decay. Crucially, suppressing TICT formation enables substantial enhancements in emission intensity. These results reveal a unifying mechanism underlying luminescence in organic semiconductors, provide a predictive framework for exciton dynamics, and open new avenues for NFA-based technologies beyond photovoltaics. Crucially, this is the first structurally resolved new species yet identified in NFA samples.
Source: openalex_inverted_index · Quality: candidate unverified · Source record ↗

Research context

OpenAlex topics: Organic Electronics and Photovoltaics · Molecular Junctions and Nanostructures · Fullerene Chemistry and Applications

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Electronic and photonic materials (EFM), Department of Physics, Chemistry and Biology (IFM), Linköping University, Linköping SE-581 83, Sweden

Beijing National Laboratory for Molecular Sciences, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, P. R. China

State Key Laboratory of Chemical Resource Engineering, Beijing Advanced Innovation Center for Soft Matter Science and Engineering, Beijing University of Chemical Technology, Beijing 100029, P. R. China

College of Chemistry and Chemical Engineering, Central South University, Changsha 410083, P. R. China

Future Organic Optoelectronics Research Center, Global Institute of Future Technology, Shanghai Jiao Tong University, Shanghai 200240, P. R. China

College of Textiles & Clothing, State Key Laboratory of Bio-fibers and Eco-textiles, Qingdao University, Qingdao 266071, P. R. China

State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, P. R. China

State Key Laboratory of Advanced Fibers Materials, Center for Advanced Low-dimension Materials, College of Materials Science and Engineering, Donghua University, Shanghai 201620, P. R. China

State Key Laboratory of Photoelectric Conversion and Utilization of Solar Energy, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian National Laboratory for Clean Energy, Dalian 116023, P. R. China

School of Materials Science & Engineering, Tianjin Key Laboratory of Molecular Optoelectronic Sciences, Key Laboratory of Organic Integrated Circuits, Ministry of Education, Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), Tianjin University, Tianjin, 300350, P. R. China

State Key Laboratory of Silicon Materials, MOE Key Laboratory of Macromolecular Synthesis and Functionalization, Department of Polymer Science and Engineering, Zhejiang University, Hangzhou, 310027, P. R. China

Funding

Energimyndigheten · Knut och Alice Wallenbergs Stiftelse

References (54)

Show source-provided references
1. Zheng · Joule · 2022 · 6 · 17110.1016/j.joule.2021.12.017 ↗
2. Chen · Nat. Commun. · 2024 · 15 · 686510.1038/s41467-024-51359-w ↗
3. Chen · Adv. Mater. · 2024 · 36 · e240669010.1002/adma.202406690 ↗
4. Fan · Angew. Chem., Int. Ed. · 2024 · 64 · e20241843910.1002/anie.202418439 ↗
5. Guan · Energy Environ. Sci. · 2025 · 18 · 31310.1039/D4EE03778B ↗
6. Jiang · Nat. Energy · 2024 · 9 · 97510.1038/s41560-024-01557-z ↗
7. Sun · J. Am. Chem. Soc. · 2024 · 146 · 1201110.1021/jacs.4c01503 ↗
8. Xu · Nanomicro Lett. · 2024 · 17 · 37
9. Zhu · Joule · 2024 · 8 · 315310.1016/j.joule.2024.08.001 ↗
10. Chen · Nat. Mater. · 2025 · 24 · 44410.1038/s41563-024-02062-0 ↗
11. Dong · Energy Environ. Sci. · 2025 · 18 · 498210.1039/D5EE00101C ↗
12. Wu · Angew. Chem., Int. Ed. · 2025 · e20250644510.1002/anie.202506445 ↗
13. Ma · Sci. China Mater. · 2025 · 68 · 168910.1007/s40843-025-3366-9 ↗
14. Cui · Adv. Sci. · 2021 · 8 · 200261510.1002/advs.202002615 ↗
15. An · J. Am. Chem. Soc. · 2002 · 124 · 1441010.1021/ja0269082 ↗
16. Huang · Angew. Chem., Int. Ed. · 2020 · 59 · 999210.1002/anie.201915397 ↗
17. Jiao · Angew. Chem., Int. Ed. · 2023 · 62 · e20230910410.1002/anie.202309104 ↗
18. Zhang · Org. Electron. · 2019 · 68 · 26410.1016/j.orgel.2019.01.049 ↗
19. Chou · J. Am. Chem. Soc. · 2023 · 145 · 1810410.1021/jacs.3c06252 ↗
20. Xie · J. Am. Chem. Soc. · 2024 · 146 · 2044910.1021/jacs.4c06577 ↗
21. Chen-Wu · Adv. Mater. · 2023 · 35 · e230053610.1002/adma.202300536 ↗
22. Mantovanelli · J. Am. Chem. Soc. · 2023 · 145 · 1463610.1021/jacs.3c01500 ↗
23. Ren · Adv. Mater. · 2023 · 35 · e230797110.1002/adma.202307971 ↗
24. Chen · Angew. Chem., Int. Ed. · 2023 · 62 · e20230159810.1002/anie.202301598 ↗
25. Elsayed · Nat. Commun. · 2024 · 15 · 70710.1038/s41467-024-45085-6 ↗
26. Yu · J. Appl. Phys. · 1995 · 78 · 451010.1063/1.359792 ↗
27. Chen · Angew. Chem., Int. Ed. · 2023 · 62 · e20230262910.1002/anie.202302629 ↗
28. Roy · J. Am. Chem. Soc. · 2024 · 146 · 1225510.1021/jacs.4c01019 ↗
29. Kim · Nat. Chem. · 2024 · 16 · 168010.1038/s41557-024-01556-3 ↗
30. Benduhn · Nat. Energy · 2017 · 2 · 1705310.1038/nenergy.2017.53 ↗
31. Lee · Angew. Chem., Int. Ed. · 2025 · 64 · e20250519110.1002/anie.202505191 ↗
32. Tsai · J. Am. Chem. Soc. · 2025 · 147 · 2194010.1021/jacs.5c05151 ↗
33. Zhu · J. Am. Chem. Soc. · 2022 · 144 · 1274710.1021/jacs.2c03161 ↗
34. Zhang · Adv. Mater. · 2024 · 36 · e240729710.1002/adma.202407297 ↗
35. Xie · Nat. Photon. · 2022 · 16 · 75210.1038/s41566-022-01069-w ↗
36. Gish · J. Phys. Chem. C · 2024 · 128 · 639210.1021/acs.jpcc.4c00653 ↗
37. Jortner · J. Chem. Phys. · 1976 · 64 · 486010.1063/1.432142 ↗
38. Ghosh · Nature · 2024 · 629 · 35510.1038/s41586-024-07246-x ↗
39. Lu · J. Mol. Model. · 2021 · 27 · 26310.1007/s00894-021-04884-0 ↗
40. Lu · J. Comput. Chem. · 2012 · 33 · 58010.1002/jcc.22885 ↗
41. Lu · J. Chem. Phys. · 2024 · 161 · 08250310.1063/5.0216272 ↗
42. Liu · Carbon · 2020 · 165 · 46110.1016/j.carbon.2020.05.023 ↗
43. Yang · Sci. China Mater. · 2024 · 67 · 312410.1007/s40843-024-3015-2 ↗
44. Cui · Nat. Energy · 2019 · 4 · 76810.1038/s41560-019-0448-5 ↗
45. Holliday · Nat. Commun. · 2016 · 7 · 1158510.1038/ncomms11585 ↗
46. Li · Adv. Energy Mater. · 2019 · 9 · 180317510.1002/aenm.201803175 ↗
47. Zhao · J. Am. Chem. Soc. · 2017 · 139 · 714810.1021/jacs.7b02677 ↗
48. Yuan · Joule · 2019 · 3 · 114010.1016/j.joule.2019.01.004 ↗
49. Yao · Angew. Chem., Int. Ed. · 2017 · 56 · 304510.1002/anie.201610944 ↗
50. Zatryb · J. Phys.: Condens. Matter · 2020 · 32 · 415902
51. Williams · J. Clin. Pathol. · 1964 · 17 · 37110.1136/jcp.17.4.371 ↗
52. Grabowski · Chem. Rev. · 2003 · 103 · 389910.1021/cr940745l ↗
53. Sasaki · J. Mater. Chem. C · 2016 · 4 · 273110.1039/C5TC03933A ↗
54. Wang · Chem. Soc. Rev. · 2021 · 50 · 1265610.1039/D1CS00239B ↗