【作者】 杨涛；

【导师】 马万里；

【作者基本信息】 苏州大学 ， 无机化学， 2013， 硕士

【摘要】 聚合物太阳能电池具有制备过程简单，低成本，轻质量，可大面积制作的优点成为现代太阳能电池研究的新核心。但是聚合物太阳能电池需要在光电转换效率、电池稳定性等方面要做出很大的改进，才能达到商业化的目标。最近人们通过设计合成新的给体材料和器件的优化，使得聚合物太阳能电池的效率突破10%，但是对于电子受体材料的研究却比较少，目前使用最普遍的受体材料是PC60BM和PC70BM，因为它们有好的溶解性、高的电子迁移率和电子亲和力。然而，他们在光谱吸收在可见光区弱吸收以及其较低的LUMO轨道，限制以其为客体的聚合物太阳能电池效率的进一步提高。同时富勒烯衍生物的设计和其结构和性能的关系对聚合物太阳能电池的光伏器件的性能有着一定的影响。本文主要以计算模拟为基础，通过经典的环加成反应设计合成新型螺形结构的的基于二苯并环戊二烯取代的富勒烯电子受体材料DBSCMA和DBSCBA，并通过1^H NMR，¹³C NMR，MALD-TOF和元素分析的等方法对结构进行了确认和表征。通过紫外吸收和光电子能谱仪（UPS）得出了他们的能级轨道，结果与理论计算模拟的结果相符。并发现在可见光区域，他们相对于PC60BM有较强的吸收。最后将材料应用到聚合物太阳能器件中，使用P3HT作为给体材料，DBSCBA作为受体材料，通过对光敏层溶液比例的调节，器件退火温度的调节和添加剂的优化。当给体材料和受体材料的比例为11：9，退火温度为110oC并加入2%的1,8-二碘辛烷（DIO）做添加剂时，得到的聚合物太阳能电池的光电转换效率达到3.70%，这相对于的PC60BM在同等条件下的3.43%有约10%的提高。最后对光敏层的器件的表面我们还使用原子力显微镜进行了表征。更多还原

【Abstract】 Polymer solar cells (PSCs) have drawn broad attention in recent years，owing totheir advantages of easy fabrication，low cost, light weight, and possibility to fabricateflexible devices. So far there are still many factors to limit development of polymersolar cells, such as the power conversion efficiency (PCE) and stability of the devices,so there is a long way to go. Recently, in order to further improve the PCE of the PSCs,much research work has been devoted to finding new conjugated polymer donors; thePCE has reached over10%. In contrast, the research efforts toward new fullerene-basedacceptor materials have not been very successful until now. Due to good solubility, highelectron mobility and good miscibility with most polymer donor materials, PC60BM andPC70BM still are the most important and widely used acceptor in the PSCs. However,weak absorption in the visible region and a lower LUMO energy level are its weakpoints. The exploration of new fullerene derivatives and the investigation of theirstructure–property relationships play a key role to improve the performance of OPVs.Herein, we designed new spiral structure fullerene derivative which weresubstituted with dibenzosuberane, dibenzosuberane-C60mono-adduct (DBSCMA) andits bis-adduct (DBSCBA) through the cyclopropanation reaction. The synthesizedfullerene derivatives were characterized by1HNMR,13C NMR, MALD-TOF, elementalanalysis and UV–visible absorption. The energy levels of fullerene derivatives wereinvestigated troughed the ultraviolet photoelectron spectroscopy (UPS).When beingblended with poly (3-hexylthiophene)(P3HT) to fabricate the solar cell, the differentcomposite ratios and thermal annealing (TA) temperature were used in the active layer.The highest power conversion efficiencies (PCEs) of the devices fabricated usingDBSCBA is3.70%after annealed110oC for10minutes and2%DIO under theillumination of AM1.5100mW/cm2which is superior to P3HT: PCBM control device. And the morphologies of the P3HT: acceptor layers were also investigated with theatomic force microscopy (AFM).更多还原