Research Group of Optical Properties of Materials (GPOM), Centro de Investigaciones en Óptica, A.P. 1-948, 37000 León, Guanajuato, Mexico.
Instituto de Investigaciones Químico Biológicas Universidad Michoacana de San Nicolás de Hidalgo Edificio B-1. Ciudad Universitaria, 58030 Morelia, Michoacán, Mexico.
Molecules. 2017 Sep 30;22(10):1607. doi: 10.3390/molecules22101607.
In this work, microwave synthesis, chemical, optical and electrochemical characterization of three small organic molecules, , and with donor-acceptor structure and their use in organic photovoltaic cells are reported. For the synthesis, 5-(2-ethylhexyl)-4-thieno[3,4-]pyrrole-4,6(5)-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 :PC71BM (1:4 / ratio) presented a large V = 0.97 V, with J = 7.9 mA/cm², a FF = 0.34, then, a power conversion efficiency (PCE) of 2.6%.
本文报道了三种具有给体-受体结构的小分子有机分子 、 和 的微波合成、化学、光学和电化学特性及其在有机光伏电池中的应用。在合成中，使用 5-(2-乙基己基)-4-噻吩[3,4-]吡咯-4,6(5)-二酮作为电子受主片段，而三苯胺则用作电子给体片段。通过密度泛函理论（DFT）计算确定了分子的电子几何形状和电子分布密度，并通过光学和化学特性进行了验证。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）被用作电子受体。作为阴极，熔点高于 62°C 的无真空条件下、在空气气氛中通过滴铸法容易沉积的场金属（FM），即一种共晶合金（Bi/In/Sn：分别为 32.5%、51%和 16.5%）。基于 ：PC71BM（1:4 比）的制备器件的开路电压为 0.97V，电流密度为 7.9mA/cm²，填充因子为 0.34，然后功率转换效率（PCE）为 2.6%。
