Influence of dye molecular structure on electron transfer in 2,9,16,23-tetracarboxy zinc phthalocyanine sensitized solar cell  

2,9,16,23-四羧基酞菁锌敏化太阳能电池中染料分子结构对电子转移的影响(英文)

作　　者：王育乔[1] 崔霞[1] 马艺文[1] 祁昊楠[1] 张慧君[1] 张远[2] 孙岳明[1] 

机构地区：[1]东南大学化学化工学院,南京211189 [2]扬州大学化学化工学院,扬州225002

出　　处：《Journal of Southeast University(English Edition)》2011年第4期452-457,共6页东南大学学报（英文版）

基　　金：The National Natural Science Foundation of China(No.21173042);the National Basic Research Program of China(973 Program)(No.2007CB936300);the Natural Science Foundation of Jiangsu Province(No.BK201123694);Foundation of Jiangsu Key Laboratory of Environmental Material and Environmental Engineering(No.JHCG201012);Foundation of Key Laboratory of Novel Thin Film Solar Cells of Chinese Academy of Sciences(No.KF200902);Science and Technology Founda-tion of Southeast University(No.KJ2010429)

摘　　要：2, 9, 16, 23-tetracarboxy zinc phthalocyanine （ZnTCPc） is synthesized and characterized by physicochemical and theoretical methods and it is used as a photosensitizer in dye-sensitized solar cells （DSSC）. The excited lifetime, band gap and frontier orbital distribution of ZnTCPc are investigated by fluorescence spectra, cyclic voltammetry and quantum calculation. The results show that the excited lifetime and band gap are 0. 1 ns and 1.81 eV, respectively. Moreover, it is found that the highest occupied molecular orbital （HOMO） location is not shared by both the zinc metal and the isoindoline ligands, and the lowest unoccupied molecular orbital（LUMO） location does not strengthen the interaction coupling between ZnTCPc and TiO：. As a result, the ZnTCPc-DSSC gains a short-circuit current density of 0. 147 mA/cm2, an open-circuit photovoltage of 277 mV, a fill factor of 0. 51 and an overall conversion efficiency of 0. 021%.合成和表征了2,9,16,23-四羧基酞菁锌,并将其作为光敏染料应用于染料敏化太阳能电池.通过荧光光谱、循环伏安和量化计算等方法分析了该染料的激发态寿命、能级匹配和前线轨道分布等参数及其对电池性能的影响.结果表明:激发态寿命为0.1ns,带隙为1.81eV,HOMO分布未被锌原子和异二氢吲哚配体共享,LU-MO分布不能增强染料与二氧化钛表面之间的相互作用;同时因酞菁类染料易聚集,因此所组装成的电池的短路电流密度为0.147mA/cm2,开路电压为277mV,填充因子为0.51,效率为0.021%.

关 键 词：zinc phthalocyanine solar cell frontier orbital electron transfer 

分 类 号：O641.122[理学—物理化学] O626[理学—化学]