卟啉酞菁类分子光伏材料的设计合成和性能研究

项目名称： 卟啉酞菁类分子光伏材料的设计合成和性能研究

项目编号： No.21471015

项目类型： 面上项目

立项/批准年度： 2015

项目学科： 数理科学和化学

项目作者： 边永忠

作者单位： 北京科技大学

项目金额： 90万元

中文摘要： 本课题针对高效、稳定光电转换材料的理性设计与可控制备这一基本科学问题，综合考虑光电转换过程中的光吸收、光致电荷分离、电荷传输三个要素，围绕卟啉酞菁类化合物进行功能导向的结构设计与调控，发展性能优异的功能材料体系。通过对卟啉酞菁类分子的取代、偶联、配位等化学调控手段优化材料结构，改善其对太阳光吸收能力以及载流子的生成和传输能力。研究材料的光伏特性和光电转化机理，结合量子化学理论模拟逐步确立分子结构与功能性质之间的关系规律，为实际开发应用提供理论支撑。

中文关键词： 卟啉；酞菁；光伏材料；太阳能电池；构效关系

英文摘要： Porphyrins and phthalocyanines are attractive candidates for organic photovoltaic applications because of their large conjugated pi system, unique electronic characteristics and high chemical stability. The present research project will focus on rational molecular design and controllable preparation of high-performance photovoltaic materials based on porphyrin and phthalocyanine compounds. Their electronic absorption, charge separation and charge transfer properties are expected to be optimized by fine adjusting the molecular structures with chemical route including substitution, inter-coupling and coordination. Organic heterojunction solar cells will be fabricated and the photovoltaic performance will be measured. The photoelectric conversion mechanism will be studied by experimental observation and theoretical simulation to elucidate the relationship between the structures and the functions.

英文关键词： porphyrin;phthalocyanine;photovoltaic materials;solar cell;structure-function relationship