Two-dimensional organic-inorganic molecular cocrystal

Molecular cocrystal engineering has emerged as an efficient approach to achieving multiple functionalities and novel applications in photonics and optoelectronics. However, the reported two-dimensional (2D) molecular cocrystals are predominantly composed of organic molecules, whereas the preparation of organic-inorganic molecular cocrystals (OIMCs) still remains challenging. Here, we achieved the self-assembly of the 2D OIMC C<sub>60</sub>·2P<sub>4</sub>S<sub>3</sub> for the first time, which has a stable layered packing arrangement, driven by π-π interactions and C-P contacts between these two cage molecules. We found that the strong C-P contacts suppress non-radiative transitions and enhance vibrational coupling, resulting in an efficient emission with a quantum yield of 13.24%. Unlike the molecular units of C<sub>60</sub> and P<sub>4</sub>S<sub>3</sub>, the cocrystal demonstrates asymmetric optical waveguides with a high anisotropic ratio of 3.625, which can be attributed to the anisotropy of vibrational transition. This work can provide new light on the design of molecular cocrystals and promote the development of molecular physics and optoelectronics.

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Publication Details

Journal
National Science Review
Published
2025-11-07
DOI
https://doi.org/10.1093/nsr/nwaf476
Primary Topic
Luminescence and Fluorescent Materials
Type
article
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article

Two-dimensional organic-inorganic molecular cocrystal

Dehui Li, Tianyou Zhai, Meihui Wang, Zhichen Xu et al.
National Science Review
Luminescence and Fluorescent Materials
article

Two-dimensional organic-inorganic molecular cocrystal

Dehui Li, Tianyou Zhai, Meihui Wang, Zhichen Xu, Yuanping Yi, Decai Ouyang, Lingyi Ao, Ying‐Shuang Fu, Huihui Ding, Haidi Liu, Jie Liu, Hongtao Yuan, Xinliang Feng, Yue Hu, Hao Peng, Yiran Ma, Zongdong Sun, Yongli Yan
article en

Abstract

Molecular cocrystal engineering has emerged as an efficient approach to achieving multiple functionalities and novel applications in photonics and optoelectronics. However, the reported two-dimensional (2D) molecular cocrystals are predominantly composed of organic molecules, whereas the preparation of organic-inorganic molecular cocrystals (OIMCs) still remains challenging. Here, we achieved the self-assembly of the 2D OIMC C<sub>60</sub>·2P<sub>4</sub>S<sub>3</sub> for the first time, which has a stable layered packing arrangement, driven by π-π interactions and C-P contacts between these two cage molecules. We found that the strong C-P contacts suppress non-radiative transitions and enhance vibrational coupling, resulting in an efficient emission with a quantum yield of 13.24%. Unlike the molecular units of C<sub>60</sub> and P<sub>4</sub>S<sub>3</sub>, the cocrystal demonstrates asymmetric optical waveguides with a high anisotropic ratio of 3.625, which can be attributed to the anisotropy of vibrational transition. This work can provide new light on the design of molecular cocrystals and promote the development of molecular physics and optoelectronics.

National Science ReviewVol. 13(2)
Shenzhen Institute of Information Technology (CN), Chinese Academy of Sciences (CN), Jiangsu Province Blood Center (CN), Beijing National Laboratory for Molecular Sciences (CN), Wuhan National Laboratory for Optoelectronics (CN), Collaborative Innovation Center of Advanced Microstructures (CN), Technical Institute of Physics and Chemistry (CN), Institute of Chemistry (CN), Huazhong University of Science and Technology (CN), Nanjing University (CN)
Openalex Percentile: Top 73%
Luminescence and Fluorescent Materials
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