基于阶梯式能级构建的三芳胺类高效光电转化系统研究

In the field of dye-sensitized solar cells, the development of new organic dyes to improve the photoelectric conversion efficiency has become an important research direction, but the poor intramolecular charge transfer (ICT) efficiency and the generation of dark current restricts the battery efficiency, how to restrain the dye packing, reduce the electronic return, is an urgent problem to be solved. This.project intends to use the TPB group with double propeller structure as an electron donor, and combined with the cascade electronic energy level, and introduce the electron deficient nitrogen heterocyclic (DPP group) as the π bridge and the first electron acceptor in the internal D- π -A type dyes, cyanoacetic acid as second electron acceptor, designed a series of new organic dyes, this stepwise molecular structure can improve the ICT efficiency. By researching internal charge separation and transmission mechanism, combined with the photophysical, electrochemical and devices results, we will reveal the role of TPB group in inhibition of molecular packing, and confirm that the DPP group can be used as the bridge of multilevel intramolecular electron transfer which can increase the efficiency of ICT. In order to guide the design and application of dye molecules in the future, the relationship between the structure and properties of dye molecules will also be summarized. We believe that this work will improve the efficiency of the development and application of dyes.

在染料敏化太阳能电池领域，发展新型有机光敏染料以提高光电转换效率成为电池研究的一个重要方向，但染料分子内电荷转移效率低下和暗电流的产生制约着电池效率的提高，如何从分子层面抑制染料堆积，减小电子回传，是亟待解决的问题。本项目拟用“双螺旋浆”结构的TPB基团作为电子供体，并结合阶梯式能级的分子设计思路，在D-π-A型染料分子内部引入缺电子氮杂环DPP基团作为π桥和第一电子受体，氰基乙酸作为第二电子受体，设计了一系列新型纯有机光敏染料，这种阶梯式分子结构可改善分子内电子传输效率。通过系统研究分子内部电荷分离和传输机制，结合光物理、电化学和器件研究结果，揭示TPB基团在抑制染料分子堆积方面所起的作用，证实DPP基团可以作为分子内多级电子传递的桥梁，从而增大ICT效率，并总结出染料分子结构与性能之间的关系，以期指导今后的染料分子设计与应用，提高敏化染料的研究和应用开发效率。

染料敏化太阳能电池已经发展到向产业化过渡的阶段，理解染料分子结构与电池性能之间的关系对加速DSC产业化至关重要。为了探索从分子层面抑制染料堆积、减少电子回传的可行性，本项目设计和制备出了一系列新型TPB类纯有机光敏染料，并将其应用在染料敏化太阳能电池中。以TPB作为电子供体，系统性揭示了其“双螺旋桨”的空间结构在抑制染料堆积方面所起的作用；引入DPP基团作为π桥，有效调节了染料的光化学带隙，拓宽了染料的光谱响应范围，证实了DPP基团可以作为分子内多级电子传递的桥梁，从而增大ICT效率，提高电池光电转换效率。通过对比不同结构的TPB类染料，总结出了相关化合物的结构-光电性能之间的构效关系。此外，为了进一步研究TPB类化合物的电荷传输机制，在与本项目密切相关的TPB类长余辉发光材料方面也开展了系列研究工作，并取得了阶段性成果。

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