Citation: Chaowei Zhao, Ting Li, Dongdong Xia, Qian Xie, Jie Fang, Yuefeng Zhang, Yu Xie, Alex K. -Y. Jen. Solvatochromic Ti-oxo clusters as cathode interlayer for efficient organic solar cells[J]. Acta Physico-Chimica Sinica, ;2026, 42(10): 100280. doi: 10.1016/j.actphy.2026.100280 shu

Solvatochromic Ti-oxo clusters as cathode interlayer for efficient organic solar cells

Chaowei Zhao ^1,2,3,4 ,
Ting Li ^1,2 ,
Dongdong Xia ² ,
Qian Xie ² ,
Jie Fang ² ,
Yuefeng Zhang ^2,, ,
Yu Xie ^1,, ,
Alex K. -Y. Jen ^3,4,5,,

1.
College of Environment and Chemical Engineering, Nanchang Hangkong University, Nanchang 330063, Jiangxi Province, China;
2.
Key Laboratory of Jiangxi Province for Environment and Energy Catalysis, Institute of Energy Research, Jiangxi Academy of Sciences, Nanchang 330096, Jiangxi Province, China;
3.
Hong Kong Institute for Clean Energy, City University of Hong Kong, Kowloon, Hong Kong, China;
4.
Department of Materials Science and Engineering, City University of Hong Kong, Kowloon, Hong Kong, China;
5.
Department of Chemistry, City University of Hong Kong, Kowloon, Hong Kong, China

Corresponding author: Yuefeng Zhang, Yu Xie, Alex K. -Y. Jen,
Received Date: 22 September 2025
Revised Date: 4 March 2026
Accepted Date: 5 March 2026

Three isostructural Ti₆-oxo clusters with the formular of Ti₆O₄(PhPO₃)₂(L)₂(OⁱPr)₁₀, where L is 2-dimethylamine benzoate for Ti6-1, 3-dimethylamine benzoate for Ti6-2, and 4-dimethylamine benzoate for Ti6-3, were successfully synthesized and characterized. Thereinto, Ti6-3 displayed novel solvent dependent light absorption property. When dissolved in trifluoroethanol related solvent, evident visible light absorption was observed for Ti6-3, which was quite different from its absorption limited within the ultraviolate region in isopropanol related solvent. However, Ti6-1 and Ti6-2 displayed consistent absorption behavior in both of these solvents, respectively. It is worth noting that the solvent dependent absorption property remains quite rare for Ti-oxo cluster materials to date, although this has been commonly observed for organic conjugated materials. Nuclear magnetic resonance measurements revealed that the surface isopropoxide ligands on Ti6-3 were replaced by analogus trifluoroethoxide ligands on the cluster surface, resulting in Ti6-3-F. The solvatochromic effect was further illustrated by density functional theory calculation revealing the tuned energy levels between Ti6-3 and Ti6-3-F. Finally, Ti6-3-F was demonstrated able to serve as excellent cathode interlayer (CIL) in PM6:BO-4Cl and PM6:L8-BO based organic solar cells (OSCs), which achieved high efficiencies of 17.89% and 18.09%, respectively, suggesting its excellence as new CIL materials for high performance OSCs.
- Ti-oxo cluster,
- Sensitization,
- Frontier energy level,
- Cathode interlayer,
- Organic solar cells
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沈阳化工大学材料科学与工程学院沈阳 110142