吡咯并吡咯烷酮类染料分子设计、吸附动力学及敏化太阳电池研究

Bislactam containing diketopyrrolopyrrole (DPP) derivatives have exceptional photochemical, mechanical, and thermal stability, and are therefore used in industrial applications as high performance pigments in paints, plastics,and inks. These materials were reported to have large absorption coefficients and tunable band gaps that cover the whole visible and near-IR spectrum. In this application, optimization of DPP-based dye structures was carried out through introduction of different functional groups, aiming to develop a series of DPP-based dyes with broad apsorption spectra. The optimization includes incoporation of different blocking units to the center of planar DPP unit, and variation of the positions of anchoring moiety (-COOH) in the dyes. The anchoring unit can be lethered to the N atom in the ring of DPP, or to benzene group. In order to investigate the the effect of structure on the mode of dye absorption on TiO2 surface, and find out the relation between the strucure and the absorption mode, an in-situ optical waveguide measurements will be carried out to make clear the fraction of the dye coverages, adsorption postures, aggregation state of the dyes on TiO2 surface from the micro-kynetic mechanism, and the results will be compared with the different dye structures. Based on the aforementioned insight to the mechanism, high efficient DPP-based dyes will be desighned for high efficient dye-sensitized solar cells.

吡咯并吡咯烷酮（diketopyrrolopyrrole，DPP）是由两个内酰胺环平面构成的，具有高的π电子共轭结构和强的电子受体性质。基于DPP的衍生物具有优异的热、光和化学稳定性，同时具有宽的吸收光谱和高的吸光系数，被广泛用于汽车油漆等高档染料。本项目基于DPP桥基单元，通过引入不同功能基团，优化分子结构，设计一类在可见和近红外具有广谱响应的D-π-A染料；通过光波导分子吸附动力学原位测试系统，从微观分子学角度对固液界面二氧化钛表面染料吸附动力学进行原位实时表征；研究染料分子在二氧化钛表面的吸附动力学行为、染料分子在二氧化钛表面覆盖度、吸附姿态、聚集状态等信息; 通过对染料分子结构-染料在二氧化钛表面吸附行为-敏化电池的性能三者之间的关系的研究，为开展高效染料分子设计和在二氧化钛表面吸附的调控，从理论和实验角度提供全新的手段，进一步提高染料敏化太阳电池光电转化效率。

吡咯并吡咯烷酮（diketopyrrolopyrrole，DPP）是由两个内酰胺环平面构成的，具有高的π电子共轭结构和强的电子受体性质。本项目基于DPP作为染料桥基单元构建给体-桥基-受体的有机染料，通过在给体和桥基中引入不同功能基团，同时优化桥基与给体和受体之间的连接方式，设计一系列在可见和近红外具有广谱响应的D-π-A染料（ICD-1~9)；从分子学角度研究染料分子在二氧化钛表面的吸附行为以及-敏化电池的性能之间的关系的研究，为开展高效染料分子设计和在二氧化钛表面吸附的调控，从理论和实验角度提供全新的手段，进一步提高染料敏化太阳电池光电转化效率。