染料敏化太阳能电池中卟啉染料的设计与分子工程

In recent years, there has been more and more interest in the field of dye-sensitized solar cells (DSSCs) due to their low-cost fabrication and high power conversion efficiency. Photosensitizer plays as a key role and determines DSSCs' performance partly, during the process of light harvesting, injecting electros to anode materials, et al. Porphyrin dye based DSSCs are presently under intense academic investigation due to their broad absorption area and prominent photovoltaic performance. This program will start with modifying the structures of monoporphyrin dyes. We plan to introduce different heterocyclic substituted Triphenylamine (or diphenylamine), central metal ions and carboxyl heterocyclic acetylene to porphyrin rings. It will be investigated deeply that the influence of different electron donor groups, porphyrin rings and electron withdrawing groups on the cells' performances. The highest performance monoporphyrin dye will be found out. Based on these work, the relationship of structure and performance of diporphyrin dyes will be investigated. Meanwhile, the geometric structures of porphyrins, energetics, and charge transfer processes at the dye/titania/electrolyte interface will be studied deeply. Finally, we will try our best to obtain porphyrin-sensitized solar cells with independent intellectual property rights, high performance, low cost and long life, to lay a good foundation for national new energy strategy.

近年来，因为具有潜在的低成本和高光电转换效率的优势，染料敏化太阳能电池领域越来越受到人们的关注。在捕捉太阳光子、注入电子到光阳极材料等诸多过程中，染料敏化剂扮演着重要角色，在一定程度上决定着染料敏化太阳能电池的性能。卟啉类染料由于具有较宽的光谱响应和较优的光电性能，目前已成为研究的热点。本项目拟从改进单卟啉染料的分子结构入手,拟在卟啉环上引入不同的杂环基三（二）苯胺基团、中心金属离子和羧酸杂环炔基；系统研究不同供电子基团、卟啉环、电子吸收端对电池性能的影响；筛选出性能优异的单卟啉染料。在此基础上，进一步研究双卟啉染料的结构与性能的关系。并对卟啉染料的分子构型、能级和染料/二氧化钛/电解质界面的电子转移过程进行详细研究。最终，努力得到具有自主知识产权的高效率、低成本、长寿命的卟啉染料敏化太阳能电池，为国家的新能源战略打下良好的基础。

染料敏化太阳能电池领域因为具有潜在的低成本和高光电转换效率的优势，越来越受到人们的关注。在捕捉太阳光子、注入电子到光阳极材料等诸多过程中，染料敏化剂扮演着重要角色，在一定程度上决定着染料敏化太阳能电池的性能。卟啉类染料由于具有较宽的光谱响应和较优的光电性能，目前已成为研究的热点。本项目系统研究不同供电子基团、卟啉环、电子吸收端对电池性能的影响；筛选出性能优异的卟啉染料。在此基础上，进一步研究双卟啉染料的结构与性能的关系。取得的主要成绩如下：.1. 设计合成了一系列新型的卟啉类染料，系统研究了其性质性能。.2. 研制出了成本低廉、环境友好、高光电转换效率的染料敏化太阳能电池器件。.3. 选择合成了一些新型的含多个吡啶基、咪唑基的有机配体，合成了一序列一维和多维的多核配合物, 对其晶体结构得到了解析，并对其性质也进行了详细研究。.4. 带本基金号的论文共68篇，其中影响因子在3.0以上的论文52篇。其中Chem. Commun. 4篇；J. Mater. Chem. A. 4篇；Chem. Eur. J. 1篇; Inorg. Chem. 4篇；Dalton Trans. 14篇; Cryst. Growth & Des. 10篇，Phys. Chem. Chem. Phys. 2篇。

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