纳米管形大碳笼金属富勒烯的合成、结构及其在光伏电池中的应用

项目名称： 纳米管形大碳笼金属富勒烯的合成、结构及其在光伏电池中的应用

项目编号： No.21271162

项目类型： 面上项目

立项/批准年度： 2013

项目学科： 数理科学和化学

项目作者： 刘子阳

作者单位： 中国计量学院

项目金额： 80万元

中文摘要： 纳米管状大碳笼金属富勒烯是最近发现的一类结构独特的新型金属富勒烯。它的一些成员具有"魔数"的性质，它的电子能级结构具有与有机太阳能电池电极材料功函数较好匹配的优点。本项目拟在我们发现和确定了两种纳米管状金属富勒烯La2C100和Sm2C104的基础上，进一步探索大碳笼金属富勒烯的"魔数"性质，揭示其特殊的生成机理，进而发展出针对它们的优化的合在方法。利用同步辐射X-射线单晶衍射技术确定其结构，利用多种谱学表征手段测试其性质。合成纳米管形大碳笼的衍生物PMBM，表征其化学结构、光吸收行为以及电子能级结构。利用该衍生物与电子给体材料P3HT结合，组装出原型体异质结有机太阳电池，并与PCBM和PC70BM组装的电池性能进行对比研究，揭示纳米形大碳笼金属富勒烯用作电子接受材料的特色。通过控制制备条件，考察光电活性层的形貌与结构，从而制备出较为有序的微结构，提高电池的光电转换效率。

中文关键词： 金属富勒烯；太阳能电池；合成；结构；同步辐射

英文摘要： The higher endohedral metallofullerenes with shape of nano-tube is a new kind of the metallofullerenes, which is recently discovered, and possesses the special electronic structure. Some members of these new metallofullerenes show the properties so called "magic number". The structures of the electronic levels of the new endohedral metallofullerenes could well match the work function of the electrodes of organic solar cell, which is one of the advantages of the higher metallofullerenes. In this project, we plan to investigate the origin of the properties of "magic number", and reveal the special mechanism of their formation. The proposed studies are based on our previous discoveries and determinations of two typical higher metallofullerenes with shape of nano-tube, that is, La2@C100, and Sm2C104. One purpose of this project is to develop a method efficiently producing these new higher metallofullerenes. The three dimensional structures of the as-synthetic samples of the higher metallofullerenes will be determined using the synchrotron X-ray single crystal analysis, and physical properties will be characterized using the several spectroscopic method. We plan to synthesize the derivatives of the higher metallofullerenes, so-called PMBM, and characterize their chemical structures, photo absorptions, and electronic

英文关键词： metallofullerene；solar cell；synthesis；structure；synchrotron radiation