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Design of circularly polarized phosphorescence materials guided by transfer learning

Journal 2025 · IF 15.7 · 16(1): 1-10 · 发表于 2025 年 5 月 29 日
作者: Liu Xu,Zhang Yihan,Xie Yifan,Wang Ledu,Gan Liyu,Li Jialei,Li Jiahe,Zhang Hongli,Chen Linjiang,Shang Weiwei,Jiang Jun,Zou Gang
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摘要

It is highly desirable that artificial circularly polarized phosphorescent materials with high luminescence asymmetry factor ( g lum ), narrowband emission and tunable chiral phosphorescent performance can be constructed. Especially, precise control and simultaneous independent switching of circularly polarized fluorescent and phosphorescent performance for the same molecules remain a formidable challenge. Herein, we propose a strategy to customized design of circularly polarized phosphorescent materials based on large language models and transfer learning methods, which not only enables efficient identification of suitable synthesis precursors, but also provides valuable guidance for experimental procedures. We demonstrate the significant advantages of transfer learning with limited chemical data, and precisely fabricate films with high g lum (1.86), narrow full-width at half-maximum (49 nm) and customized circularly polarized phosphorescent performance with targeted spectral position. The inverse customization of materials with user-specified circularly polarized fluorescent/phosphorescent performance can be achieved, favoring their application in multicolor display and multidimensional information encryption.

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