In this work, microwave synthesis, chemical, optical and electrochemical characterization of three small organic molecules, TPA-TPD, TPA-PT-TPD and TPA-TT-TPD with donor-acceptor structure and their use in organic photovoltaic cells are reported. For the synthesis, 5-(2-ethylhexyl)-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione was used as electron withdrawing fragment while the triphenylamine was used as electron donating fragment. Molecular electronic geometry and electronic distribution density were established by density functional theory (DFT) calculations and confirmed by optical and chemical characterization. These molecules were employed as electron-donors in the active layer for manufacturing bulk heterojunction organic solar cells, where [6,6]-phenyl C71 butyric acid methyl ester (PC71BM) was used as electron-acceptor. As cathode, Field′s metal (FM), an eutectic alloy (Bi/In/Sn: 32.5%, 51%, and 16.5%, respectively) with a melting point above 62 °C, was easily deposited by drop casting under vacuum-free process and at air atmosphere. Prepared devices based on TPA-TPD:PC71BM (1:4 w/w ratio) presented a large VOC = 0.97 V, with JSC = 7.9 mA/cm2, a FF = 0.34, then, a power conversion efficiency (PCE) of 2.6%.

中文翻译：

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Thieno[3,4-c]pyrrole-4,6-dione (TPD) 衍生的小分子及其在溶液处理有机太阳能电池中的应用

在这项工作中，报告了具有供体-受体结构的三种有机小分子 TPA-TPD、TPA-PT-TPD 和 TPA-TT-TPD 的微波合成、化学、光学和电化学表征及其在有机光伏电池中的应用。对于合成，5-(2-乙基己基)-4H-噻吩并[3,4-c]吡咯-4,6(5H)-二酮用作吸电子片段，而三苯胺用作给电子片段。分子电子几何和电子分布密度通过密度泛函理论 (DFT) 计算建立，并通过光学和化学表征确认。这些分子被用作活性层中的电子供体，用于制造本体异质结有机太阳能电池，其中 [6,6]-苯基 C71 丁酸甲酯 (PC71BM) 用作电子受体。作为阴极，Field 的金属 (FM)，一种熔点高于 62 °C 的共晶合金（Bi/In/Sn：分别为 32.5%、51% 和 16.5%），可以在无真空工艺下通过滴铸轻松沉积并在空气气氛中。基于 TPA-TPD:PC71BM（1:4 w/w 比率）制备的器件呈现大 VOC = 0.97 V，JSC = 7.9 mA/cm2，FF = 0.34，然后，功率转换效率 (PCE) 为 2.6 %。