本文選題：氟原子 + 平面性　； 參考：《陜西師范大學》2016年碩士論文

【摘要】：人類生存依賴于石油、煤炭等有限的能源,然而隨著過度消耗,造成了地球上的資源匱乏和環(huán)境污染,危害到人類身體健康。太陽能作為最佳的代替者,受到眾多研究者的關(guān)注。太陽能電池由最初的硅電池到現(xiàn)今的有機太陽能電池,經(jīng)過了近半個世紀的發(fā)展。有機太陽能電池相較于已經(jīng)商業(yè)化并投入實際使用的無機電池相比,有原料易得,成本低,可制備柔性器件等優(yōu)點。有機太陽能電池活性層中給體材料研究對電池起著決定性作用,進一步提高電池的光電轉(zhuǎn)換效率要解決的關(guān)鍵問題是活性層給受體材料對光的吸收利用率。設(shè)計窄帶隙寬吸收高吸光率的分子有利于電子離域以及載流子的遷移,提高短路電流。改善分子主鏈平面性,通過設(shè)計類似共平面大的芳香結(jié)構(gòu)主干可實現(xiàn)分子平面性良好的目標,也可在側(cè)鏈或者引入雜原子、基團增加或減小位阻來改善聚合物鏈的主干結(jié)構(gòu)扭轉(zhuǎn)角,增強分子間的π-π堆積性,提高載流子遷移率,最終也可提高短路電流。本論文在明星分子聚噻吩類衍生物以及二烷氧基苯類與苯并噻二唑的聚合物兩種分子的基礎(chǔ)上,為改善分子平面性,增大電流,在分子不同位置引入了氟原子并改變分子中氟原子數(shù)目。通過Stille交叉偶聯(lián)反應(yīng)分別合成制備了PTCBT、 PTCFBT、和PFTCBT 以及 PFPTBT、PFPFTBT、PPFTBT兩組六種聚合物,制備體異質(zhì)結(jié)太陽能電池,并對電池的性能進行研究,具體工作如下：(1)通過熱重分析測定這三種聚合物都有良好的熱力學穩(wěn)定性；經(jīng)紫外吸收分光光度計測定,其中引入氟原子的PTCFBT和PFTCBT兩個聚合物的吸收邊分別在700nm和760nm。聚合物PTCBT、PTCFBT、PFTCBT對應(yīng)的膜吸收最大吸收峰為552nm,516nm,586nm。通過循環(huán)伏安法測定,聚合物PTCBT、PTCFBT、 PFTCBT的LUMO能級分別為-2.85 eV,-2.94 eV,-2.87 eV。HOMO能級分別為-5.26 eV,-5.64 eV,-5.49 eV。器件光伏性能測定基于三種聚合物為給體材料的電池能量轉(zhuǎn)換效率分別為4.70%、4.99%、5.93%;與受體材料PC71BM混合后形貌良好,粗糙度較��；XRD測試表明聚合物PTCFBT、PFTCBT引入氟原子有利于分子晶體堆積。(2)通過紫外吸收分光光度計測定,聚合物PFPFTBT、PFPTBT、PPFTBT對應(yīng)的膜吸收最大吸收峰為595nm,527nm,642nm,氟原子引入位置不同對分子帶隙影響不同;通過循環(huán)伏安法測定,聚合物PFPFTBT、PFPTBT、PPFTBT的LUMO能級分別為-3.0 eV,-2.96 eV,-2.98 eV, HOMO能級分別為-5.76 eV,-5.75 eV,-5.31 eV,氟原子可降低分子能級,數(shù)目越多,降低程度越大,氟原子所在位置可與C、s等原子形成的共價鍵改變分子平面性,提高短路電流；器件光伏性能測定基于三種聚合物為給體材料的電池能量轉(zhuǎn)換效率分別為3.93%%,6.40%,9.39%。
[Abstract]:Human survival depends on limited energy sources such as oil and coal. However, with the excessive consumption, the resources on the earth are scarce and the environment is polluted, which is harmful to human health. As the best substitute, solar energy has attracted many researchers' attention. Solar cells have been developed from silicon cells to organic solar cells for nearly half a century. Compared with the inorganic cells which have been commercialized and put into practical use, organic solar cells have the advantages of easy availability of raw materials, low cost and the ability to fabricate flexible devices. The study of donor material in the active layer of organic solar cell plays a decisive role in the battery. The key problem to be solved in further improving the photovoltaic conversion efficiency of the cell is the utilization ratio of light absorbed by the active layer to the recipient material. The design of narrow band gap wide absorption molecules with high absorptivity is beneficial to electron delocalization and carrier migration, and to increase short circuit current. To improve the planarity of the molecular main chain, the goal of good molecular planarity can be achieved by designing the backbone of aromatic structures similar to the coplanar size, or by introducing hetero atoms into the side chain, Increasing or decreasing the steric resistance of the group can improve the torsion angle of the main structure of the polymer chain, enhance the 蟺-蟺 accumulation between molecules, increase the carrier mobility, and finally increase the short circuit current. In this paper, on the basis of star molecule polythiophene derivatives and dialkoxy benzenes and benzothiadiazole polymers, in order to improve the molecular flatness and increase the current, Fluorine atoms are introduced and the number of fluorine atoms in the molecules is changed. Six kinds of polymers, PTCBT, PTCFBT, PFTCBT and PFPTBTPFPFTBT, were synthesized by Stille cross-coupling reaction to prepare heterojunction solar cells. The main results are as follows: (1) the thermodynamics stability of the three polymers was determined by thermogravimetric analysis, and the absorption edge of the fluorinated PTCFBT and PFTCBT were measured at 700nm and 760nm by UV absorption spectrophotometer. The maximum absorption peak of PFTCBT was 552 nm ~ 516 nm ~ (-1) ~ 586 nm ~ (-1). By cyclic voltammetry, the LUMO levels of the polymer PTCBTT PTCFBTand PFTCBT are -2.85 EV ~ 2.94 EV ~ 2.87 EV ~ (-1) -5.64 EV ~ (-1) -5.49 eV, respectively. The energy conversion efficiency of the battery based on three kinds of polymers was 4.70 and 4.99 respectively, and the photovoltaic performance of the device was 5.93.The photovoltaic device was mixed with the acceptor PC71BM with good morphology and low roughness. XRD results show that the introduction of fluorine atoms into PFTCBT is beneficial to the accumulation of molecular crystals. (2) by UV absorption spectrophotometer, the maximum absorption peak of PPFTBT / PFPFTBT / PFPTBTT / PPFTBT is 595 nm / 527 nm / m ~ (62) nm, and the influence of fluorine atoms on the band gap is different; By cyclic voltammetry, the LUMO and Homo levels of PPFTBT / PFPFTBT / PFPTBTT / PPFTBT were -3.0 EV ~ 2.96 EV ~ 2.96 EV ~ 2.98 EV and -5.76 EV ~ 5.75 EV ~ 5.75 EV ~ 5.31 EV, respectively. The location of fluorine atoms can change the plane of molecules and improve the short-circuit current with the covalent bonds formed by the atoms such as Cons, and the photovoltaic properties of the devices are determined. The energy conversion efficiency of the battery based on the three kinds of polymers is 3.93 and 6.40and 9.39, respectively.
【學位授予單位】：陜西師范大學
【學位級別】：碩士
【學位授予年份】：2016
【分類號】：O631.3

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