PCBM类似物和MDNC二加成衍生物的设计、合成及光伏性能研究

发布时间：2018-05-05 07:56

  本文选题：聚合物太阳能电池 + 受体材料　； 参考：《西南科技大学》2016年硕士论文

【摘要】：聚合物太阳能电池具有重量轻、成本低、便于制造和携带等优点,已成为太阳能电池领域的研究热点和重要发展方向。富勒烯衍生物(PCBM)是目前公认的聚合物太阳能电池最佳受体材料,其化学修饰和物理化学性质表征是聚合物太阳能电池研究领域的热点。为了进一步提高聚合物太阳能电池的光电转化效率,许多研究工作者一直致力于寻找宽光谱吸收、高LUMO轨道能级、高的电子迁移率,且合适电子能级的新型聚合物太阳能电池受体材料,进而提高电池器件的开路电压或短路电流,达到提高电池性能的目的。本文基于PCBM、ICBA、QDNC设计合成出两类新型富勒烯衍生物受体材料,即基于PCBM改性的PCBM类似物;富勒烯二加成衍生物MDN-PCBM和MDN-ICMA。采用Dmol3计算方法对设计分子的HOMO和LUMO能级进行模拟计算,通过与PCBM对比进行分子结构筛选;以4-苯甲酰基丁酸、对甲苯磺酰肼、C60和六种醇类等为主要原料,合成并分离得到PCBM类似物F1—F6;以PCBM和ICMA为基体,3,4-二甲基溴茴香醚为原料,设计合成了富勒烯二加成衍生物MDN-PCBM和MDN-ICMA;利用UV-Vis、IR、1H NMR、13C NMR、MS和元素分析等手段对产物及中间体的结构进行了表征;并与P3HT共混制备器件,在光照AM 1.5 G,82 mW/cm2下,测出基于F1—F6的器件光电转化效率分别为2.94%、3.19%、3.33%、1.24%、0.96%和1.97%;基于MDN-PCBM的器件光电转化效率为3.67%,比基于P3HT:PCBM参比器件(3.09%)要高18.8%;基于MDN-ICMA的器件的Voc为0.88 e V,比基于P3HT:PCBM参比器件要高0.34 V,增长率为62.9%,但Jsc、FF较低,导致光电转化效率为1.68%,预测器件的制备手段对器件光电转化效率影响较大。为聚合物太阳能电池富勒烯受体材料设计和合成研究提供理论依据和技术参数。
[Abstract]:Polymer solar cells have many advantages, such as light weight, low cost, easy to manufacture and carry, etc. It has become a hot spot and an important development direction in the field of solar cells. Fullerene derivative PCBMs are widely recognized as the best acceptor materials for polymer solar cells. Their chemical modification and characterization of physical and chemical properties are the hot spots in the field of polymer solar cells. In order to further improve the photoconversion efficiency of polymer solar cells, many researchers have been working to find wide spectrum absorption, high LUMO orbital energy levels, high electron mobility. A new type of polymer solar cell receptor material with suitable electron level can improve the cell performance by increasing the open circuit voltage or short circuit current of the battery device. In this paper, two kinds of novel fullerene derivative receptor materials, PCBM analogues modified by PCBM, MDN-PCBM and MDN-ICMA derivatives, were designed and synthesized based on PCBMN ICBAN QDNC. The HOMO and LUMO energy levels of the design molecules were simulated and calculated by Dmol3 method, and the molecular structure was screened by comparing with PCBM. The main raw materials were 4-benzoyl butyric acid, p-toluene sulfonyl hydrazide C60 and six alcohols. The PCBM analogue F1-F6 was synthesized and separated from PCBM and ICMA. Fullerene diaddition derivatives MDN-PCBM and MDN-ICMA were designed and synthesized, the structures of the products and intermediates were characterized by UV-Vis-IR 1H NMR-13C NMR-MS and elemental analysis, and the structures of the products and intermediates were prepared by blending with P3HT. The photoelectric conversion efficiency of devices based on F1-F6 was 2.94 / 3.193.330.96% and 1.97% respectively; the photoelectric conversion efficiency of MDN-PCBM based device was 3.67, which was higher than that of P3HT:PCBM reference device 3.099.The Voc of MDN-ICMA based device was 0.88e V, which was higher than that based on P3HT:PCBM reference device. 0.34 V, the growth rate is 62.9%, but Jscfff is lower, The photoelectric conversion efficiency is 1.68, and the preparation method of the predicted device has a great influence on the photoelectric conversion efficiency of the device. It provides theoretical basis and technical parameters for the design and synthesis of fullerene receptor materials for polymer solar cells.
【学位授予单位】：西南科技大学
【学位级别】：硕士
【学位授予年份】：2016
【分类号】：TM914.4
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本文编号：1846852