螺环给体单元用于构造高性能和多功能型蓝色热活化延迟荧光材料的研究

As the promising candidate for new generation of organic electroluminescent materials, the advantages of thermally activated delayed fluorescence (TADF) materials are that they can achieve very high electroluminescent efficiency, be purely organic materials and do not require expensive metallic elements. Therefore, the development of TADF materials have attracted considerable attention from both academia and industry. However, blue emitters with ultimate efficiency and high stability remain the ‘‘Holy Grail’’ for organic light-emitting diode (OLED) research. This project aims to solve this technical limitation by proposing a spiral donor strategy to develop high-efficiency and versatile TADF materials: Firstly, to save time, the density functional theory (DFT) method is adopted to refine the excellent spiral donor. Secondly, we build the structure-property-performance relationships by controlling the nonconjugated fragment and molecular length，change the connection mode between the donor and acceptor, and manipulation of intermolecular aggregation behavior, which can definitely provide guidance and design methodology for high efficiency and versatile TADF materials. Finally, the essential factors that affect the chemical stability of the spiral donor constructed TADF materials and a feasible guidance that great improves the device lifetimes are revealed, which lays a foundation toward the commercial application of TADF materials.

热活化延迟荧光（TADF）材料作为新一代有机电致发光材料，具有高效率、纯有机、低成本的特点。因此发展TADF材料具有重要的科学意义和商业化应用前景。鉴于目前对高效率、长寿命的蓝光TADF材料报道较少，本项目提出了利用新型螺环给体单元构建高性能且多功能型蓝色TADF材料的设计策略：首先，为了节省时间，我们采用密度泛函理论筛选优异的螺环给体单元；其次，通过延长非共轭单元、改变供受体间的连接方式以及调控目标分子的晶体排列来优化材料的性能，深刻总结材料的结构-性质-性能之间的关系，为设计更优异且多功能化TADF材料提供指导和设计理念；最后，明确螺环给体构造的TADF材料的化学稳定性的本质影响因素和大幅提高器件寿命的解决方案，为TADF材料的商业化应用做出贡献。

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