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设计合成一种具有杠铃状双富勒烯衍生物,其分子结构采用1H NMR,13C NMR,元素分析和MS进行了结构表征,并运用Gaussian量子化学程序对其分子的几何构型进行结构优化;通过对其结构的设计,有效地改变其在有机溶剂中的溶解性,将其与聚合物P3HT共混后制备太阳能电池,当P3HT与其质量混合比为1∶0.5时,并在110℃下进行退火处理,其太阳能电池开路电压达到了0.89 V,光电转换效率为1.01%,短路电流为2.73 m A/cm2,填充因子FF为39.1%.此研究为获得高开路电压的聚合物太阳能电池提供了一种可行性选择.
A kind of barbular double fullerene derivative was designed and synthesized. Its molecular structure was characterized by 1H NMR, 13C NMR, elemental analysis and MS, and its molecular geometry was optimized by Gaussian quantum chemistry program. Through the design of its structure, its solubility in organic solvents is effectively changed, and then it is blended with the polymer P3HT to prepare a solar cell. When the mass ratio of P3HT and its mass is 1: 0.5, it is carried out at 110 ° C. The open circuit voltage of the solar cell reached 0.89 V, the photoelectric conversion efficiency was 1.01%, the short circuit current was 2.73 m A / cm 2, and the fill factor FF was 39.1% .This research provided a method for obtaining high open circuit voltage of polymer solar cells A viable option.