本文選題：聚合物太陽(yáng)能電池 + 受體材料��； 參考：《西南科技大學(xué)》2016年碩士論文

【摘要】：聚合物太陽(yáng)能電池具有重量輕、成本低、便于制造和攜帶等優(yōu)點(diǎn),已成為太陽(yáng)能電池領(lǐng)域的研究熱點(diǎn)和重要發(fā)展方向。富勒烯衍生物(PCBM)是目前公認(rèn)的聚合物太陽(yáng)能電池最佳受體材料,其化學(xué)修飾和物理化學(xué)性質(zhì)表征是聚合物太陽(yáng)能電池研究領(lǐng)域的熱點(diǎn)。為了進(jìn)一步提高聚合物太陽(yáng)能電池的光電轉(zhuǎn)化效率,許多研究工作者一直致力于尋找寬光譜吸收、高LUMO軌道能級(jí)、高的電子遷移率,且合適電子能級(jí)的新型聚合物太陽(yáng)能電池受體材料,進(jìn)而提高電池器件的開(kāi)路電壓或短路電流,達(dá)到提高電池性能的目的。本文基于PCBM、ICBA、QDNC設(shè)計(jì)合成出兩類(lèi)新型富勒烯衍生物受體材料,即基于PCBM改性的PCBM類(lèi)似物;富勒烯二加成衍生物MDN-PCBM和MDN-ICMA。采用Dmol3計(jì)算方法對(duì)設(shè)計(jì)分子的HOMO和LUMO能級(jí)進(jìn)行模擬計(jì)算,通過(guò)與PCBM對(duì)比進(jìn)行分子結(jié)構(gòu)篩選;以4-苯甲酰基丁酸、對(duì)甲苯磺酰肼、C60和六種醇類(lèi)等為主要原料,合成并分離得到PCBM類(lèi)似物F1—F6;以PCBM和ICMA為基體,3,4-二甲基溴茴香醚為原料,設(shè)計(jì)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和元素分析等手段對(duì)產(chǎn)物及中間體的結(jié)構(gòu)進(jìn)行了表征;并與P3HT共混制備器件,在光照AM 1.5 G,82 mW/cm2下,測(cè)出基于F1—F6的器件光電轉(zhuǎn)化效率分別為2.94%、3.19%、3.33%、1.24%、0.96%和1.97%;基于MDN-PCBM的器件光電轉(zhuǎn)化效率為3.67%,比基于P3HT:PCBM參比器件(3.09%)要高18.8%;基于MDN-ICMA的器件的Voc為0.88 e V,比基于P3HT:PCBM參比器件要高0.34 V,增長(zhǎng)率為62.9%,但Jsc、FF較低,導(dǎo)致光電轉(zhuǎn)化效率為1.68%,預(yù)測(cè)器件的制備手段對(duì)器件光電轉(zhuǎn)化效率影響較大。為聚合物太陽(yáng)能電池富勒烯受體材料設(shè)計(jì)和合成研究提供理論依據(jù)和技術(shù)參數(shù)。
[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.
【學(xué)位授予單位】：西南科技大學(xué)
【學(xué)位級(jí)別】：碩士
【學(xué)位授予年份】：2016
【分類(lèi)號(hào)】：TM914.4
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本文編號(hào)：1846852