新型近红外非金属染料敏化剂的合成及性能研究

The development of solar energy is consistent with the national strategy of “One Belt And One Road”. Dye-sensitized solar cells (DSSCs) have gained considerable attention in academic and industrial communities as alternatives to conventional silicon-based solar cells, owing to their low cost and easy fabrication process combined with high power conversion efficiencies (PCEs). In order to promote the light-harvesting capability as much as possible to improve the PCEs of DSSCs, this project will develop a series of high-performance near-infrared metal-free organic sensitizers, with N-annulation of perylene (NP) and borondifluorodipyrromethene (BODIPY) featuring high molar extinction coefficient, good light and heat stability, easy molecular tailoring. And the absorption and HOMO-LUMO energy levels of the dyes will be optimized through molecular engineering. Furthermore, it can provide insight into the theoretical and practical support to obtain high-performance near-infrared metal-free organic dye-sensitized solar cell via study the relationship between the molecular structures of dyes and the photovoltaic properties of devices. Therefore, this investigation is not only a research field having great scientific value but also has broad prospect in industrialization.

以太阳能为主的新能源是国家“一带一路”战略实施中不可或缺的发展要素。作为传统硅基太阳能电池的理想替代者，染料敏化太阳能电池（DSSCs）因其较高的光电转化效率、简单的制作工艺和低廉的制作成本等优势而成为研究热点。为了尽可能多地捕获太阳光以提高染料敏化太阳能电池的能量转换效率，本项目拟以具有高摩尔消光系数、良好光热稳定性、易于进行化学修饰等特点的氮杂苝（NP）和氟硼二吡咯类染料（BODIPY）为基本结构单元，通过分子工程实现对染料分子吸收光谱和HOMO-LUMO能级的调控，发展一系列高性能的新型近红外非金属染料敏化剂。进一步地，通过探究染料分子结构与器件性质之间的关系，为获得高性能的近红外非金属染料敏化太阳能电池提供理论和实践支持。因而开展这项研究，不仅科学意义重大，更具有十分广阔的产业化前景。

发展新型、高效的染料敏化太阳能电池是实施能源可持续发展战略的重要组成部分，其中，染料敏化剂在电池光电转化效率及稳定性上起着关键核心作用。非金属染料敏化剂因其分子结构可调、摩尔消光系数高、合成和制作工艺简单等特点而展示出了良好的应用前景。本项目以具有高摩尔消光系数、良好光热稳定性的氮杂苝（NP）及氟硼二吡咯染料（BODIPY）为基本结构单元，通过在电子给体、电子受体及π共轭桥链单元部分进行染料分子结构优化，寻找染料分子结构与器件性能的关系，发展了一类基于NP和BODIPY结构的新型非金属染料敏化剂，实现了这类染料的光电转化效率从1.24%提升至6.43%的研究成果，获得了目前已知的基于BODIPY染料敏化剂的最高器件效率（6.43%），探讨了染料敏化剂分子结构与其器件性质的构效关系，为进一步获得高性能染料结构奠定了理论和实践基础。