新型亚氨基联芪类太阳能电池敏化染料的合成及光伏性能研究

To solve the problems of current organic sensitizers, such as narrow spectrum, poor stability and the bottleneck of photoelectric conversion efficiency, some novel high-performance sensitizers for DSCs, containing iminostilbene and iminodibenzyl as electron donors will be designed and synthesized in this project. An extra electron acceptor with low-band gap will be introduced to the π-linker and the sensitizers with D-A-π-A structure will be synthesized. The structure is beneficial to broaden the spectral response range and improve the stability. To inhibit the aggregation on dyes of the TiO2 surface, starburst donors will be used and long alkyl chains will be linked to the conjugate bridge. Combined with quantum chemical method, energy levels and band gap gradient will be further optimized, and theoretical basis will be established.

本项目拟设计并合成一系列以亚氨基联芪类化合物为电子给体的新型高性能纯有机太阳能电池敏化染料，解决目前有机敏化染料光谱较窄、稳定性差和光电转换效率瓶颈等问题。在共轭桥链引入额外的低带隙吸电子基团，构建D-A-π-A型敏化剂，拓宽光谱响应范围，提高敏化剂的稳定性。采用星射状电子给体和在共轭桥上引入长烷基链两种方式，抑制聚集态效应。通过对电子给体、共轭桥链、长碳链的疏水基团的变化，实现对染料吸收光谱、轨道能级以及光伏性能的调控。结合量子化学计算，进一步优化能级和带隙梯度，为敏化染料分子工程设计提供强有力的理论基础。

本项目发展了新型以亚氨基联芪、吲哚啉、氮杂苝以及三苯胺为电子给体D-A-π-A 体系的高效率纯有机太阳能电池敏化染料。在染料分子中引入了具有强吸电子性能的噻二唑、吡啶并吡嗪、噻二唑并吡啶、茚并噻吩和喹喔啉作为辅助电子吸收单元，这种结构有利于电荷的分离，拓宽了光谱响应范围，有效地提高了光电转换效率，推动了有机敏化染料的创新构建。其中以吡啶并吡嗪作为辅助受体共轭π桥链，大吲哚啉为给体的染料电池，在AM 1.5标准模拟太阳光下，其光电能量转化效率达到了8.57%。本项目在ACS Appl. Mater. Interfaces，ACS Sustainable Chem. Eng.，Chemistry- An Asian Journal，Dyes and Pigments 等期刊上发表SCI收录论文6篇，协助培养博士研究生2名，硕士研究生2名。