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首页> 外文期刊>RSC Advances >Funnel shaped molecules containing benzo/pyrido[1,2,5]thiadiazole functionalities as peripheral acceptors for organic photovoltaic applications
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Funnel shaped molecules containing benzo/pyrido[1,2,5]thiadiazole functionalities as peripheral acceptors for organic photovoltaic applications

机译：含有苯并/吡啶的漏斗形分子[1,2,5]噻二唑官能团作为有机光伏应用的外周受体

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A series of four novel funnel shaped triphenylamine core derivatized materials with various combinations of 3,6-di- tert -butyl-9 H -carbazole as donors and benzo/pyrido[1,2,5]thiadiazole as peripheral acceptors were designed, synthesized and characterized. Optical and electrochemical studies revealed that increasing acceptor strength in the structure leads to a bathochromic shift in their absorption profile and stabilizes the lowest unoccupied molecular orbital (LUMO) energy level. Enhancement in the intensity of an intramolecular charge transfer transition with synergistic downshift of the highest occupied molecular orbital (HOMO) and LUMO levels was observed by increasing the number of acceptor units. Thermogravimetric analyses (TGA) indicated that the materials containing pyrido[1,2,5]thiadiazole (PTD) acceptor functionality have excellent thermal stability compared to the materials containing benzo[1,2,5]thiadiazole (BTD) functionality. The measurement of glass transition temperature ( T _(g) ) corroborated TGA results and the values were found to be in the range of 148–198 °C. X-ray analyses indicated that more twist in the structure leads to absorption in the high energy region and varying the number of electron donor and acceptor groups has an impact on the modulation of frontier energy levels. A power conversion efficiency of 2.21% for the molecule with PTD as an acceptor and bis-carbazole as donor was achieved for the preliminary photovoltaic devices under simulated AM 1.5 illumination (100 mW cm ~(?2) ).
机译：一系列四种新型漏斗形三苯胺核心衍生材料，具有3,6-二叔丁基-9H-Carbazole的各种组合作为供体和苯并/吡啶[1,2,5]噻二唑，作为外周受体，合成并表征。光学和电化学研究表明，该结构中的受体强度的增加导致其吸收曲线中的碱基转移，并稳定最低的未占用的分子轨道（LumO）能级。通过增加受体单元的数量，观察到具有最高占用分子轨道（HOMO）和LumO水平的协同速度下降的分子内电荷转移过渡的增强。热量推翻分析（TGA）表明，与含有苯并[1,2,5]噻二唑（BTD）官能团的材料相比，含有吡啶的材料具有优异的热稳定性。玻璃化转变温度的测量（T _（g））证实的TGA结果和值在148-198℃的范围内。 X射线分析表明，该结构中的扭曲更多地导致高能区内的吸收，并改变电子给体和受体基团的数量对边界能量水平的调节产生影响。在模拟AM 1.5照明下的初步光伏器件（100mM cm〜（β2））下，对具有PTD作为受体和BIS-咔唑作为供体的分子的功率转化效率为2.21％。

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