2,6-位取代的BODIPY染料敏化剂的合成及其性能  

Synthesis and Properties of 2,6-Modified BODIPY Sensitizers for Dye-Sensitized Solar Cells

作　　者：周伟男[1,2] 赵鸿斌[2] 蔡卓弟 廖俊旭[2,3] 彭飞[1,2] 严文杰[2] 阳年发[1] 

机构地区：[1]湘潭大学化学学院,湘潭411105 [2]东莞理工学院化学与环境工程学院,东莞523808 [3]东莞市化工学会,东莞523808

出　　处：《无机化学学报》2016年第1期81-88,共8页Chinese Journal of Inorganic Chemistry

基　　金：国家自然科学基金(No.21342003);广东省自然科学基金(No.2014A030313630);广东省教育厅高层次人才培养项目(No.粤财教(2013)246号);广东省高校科技创新项目(No.cxzd1148);东莞市高等院校科研机构科技计划项目(No.2012108101005)资助

摘　　要：设计合成了3种新型基于氟化硼络合二吡咯甲川（BODIPY）衍生物的D-π-A型光敏染料CB1~CB3,其结构为：BODIPY核为桥联基团、N-苯基咔唑以不同位点连接BODIPY的2-位作为电子给体单元、氰乙酸连接于BODIPY的6-位作为电子受体单元。运用1H,13C NMR以及MALDI-TOF-MS对所合成的染料CB1~CB3进行了结构表征和确证。对3种染料CB1~CB3进行了UV-Vis和荧光等光物理特性、电化学行为、光伏性能研究,并通过DFT理论计算深入研究了其分子的几何结构与性能之间的关系。3种染料的吸收光谱主要位于420~600 nm波段,LUMO能级在3.7 eV左右,HOMO能级在5.2 eV左右。N-苯基咔唑2-位与BODIPY相连的CB2,因更平整的分子结构和更为适合的共轭长度,具有更为优良的光谱吸收和分子内电荷迁移性能,因而表现出良好的光伏性能：在AM1.5（100 m W·cm-2）的光强下,CB2敏化电池的开路电压（Voc）为550 m V,电流密度（Jsc）为3.71 m A·cm-2,填充因子（FF）为0.73,总光电转换效率（PCE）为1.49%。Three novel D-π-A type organic dye sensitizers based on BODIPY derivatives featured with BODIPY as π-conjugate bridge, N-phenylcarbazole linked BODIPY unit with different active positions as electron donor and cyanoacrylic acid as electron acceptor were designed and successfully synthesized. The structures of these synthetic dyes CB1CB3 were characterized by1 H,13C NMR and MALDI-TOF-MS. The photophysical properties,electrochemical behaviors and photovoltaic performances of these dyes were measured and the relationships between the structure and property were further studied by density functional theory calculations. The absorption spectral of CB1CB3 ranged from 420 nm to 600 nm. Their LUMO and HOMO levels were located on about 3.7eV and 5.2 eV respectively. CB2 exhibited more excellent photovoltaic performance than CB1 and CB3 due to the more planar structure and more suitable conjugation length, which resulting in broad absorption and better intramolecular electron transfer property. Under AM 1.5（100 mW·cm-2） irradiation, CB2 sensitized solar cell give1.49% total photoelectric conversion efficiency with open circuit voltage（ Voc） 550 m V, short-circuit current density（Jsc） 3.71 m A·cm-2 and fill factor（FF） 0.73.

关 键 词：染料敏化太阳能电池 有机染料 光伏性能 BODIPY 

分 类 号：O626.1[理学—有机化学]