基于新型杠铃状双富勒烯衍生物受体材料的高开路电压聚合物太阳能电池
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摘要
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.
Polymer solar cells(PSCs) based on fullerene and its derivatives as acceptors are attracting extensive interest due to their advantages of wide materials, low cost and flexibility. The research of the accepting materials is considered to be a key factor to obtain high-efficiency PSCs, especially fullerene derivatives. In this regard, a novel barbell-shaped bifullerene derivative was designed and synthesized, and the structure was identified by 1H NMR, 13 C NMR, MS and element analysis. Its absorption, electrochemistry, and geometry were studied systematically by UV, CV and Gaussian. Results showed that the bifullerene derivative can be used as acceptor for PSCs. The solubility of the derivative was effectively changed by increasing the alkyl chain in the molecule. The PSCs were fabricated with the structure of ITO/PEDOT:PSS/P3HT:bifullerene derivative/Ca/Al. After optimization of the ratio of bifullerene derivative and P3 HT, the cells with the optimized conditions show that the power conversion efficiency(PCE) was 1.01% with Jsc of 2.73 m A/cm2 and Voc of 0.89 V. It is noteworthy that the open-circuit voltage was up to 0.89 V, which is more than 0.3 V that of PC60BM(Voc=0.56 V). Our result provides a feasible choice for PSCs with high open-circuit voltage.
Polymer solar cells(PSCs) based on fullerene and its derivatives as acceptors are attracting extensive interest due to their advantages of wide materials, low cost and flexibility. The research of the accepting materials is considered to be a key factor to obtain high-efficiency PSCs, especially fullerene derivatives. In this regard, a novel barbell-shaped bifullerene derivative was designed and synthesized, and the structure was identified by 1H NMR, 13 C NMR, MS and element analysis. Its absorption, electrochemistry, and geometry were studied systematically by UV, CV and Gaussian. Results showed that the bifullerene derivative can be used as acceptor for PSCs. The solubility of the derivative was effectively changed by increasing the alkyl chain in the molecule. The PSCs were fabricated with the structure of ITO/PEDOT:PSS/P3HT:bifullerene derivative/Ca/Al. After optimization of the ratio of bifullerene derivative and P3 HT, the cells with the optimized conditions show that the power conversion efficiency(PCE) was 1.01% with Jsc of 2.73 m A/cm2 and Voc of 0.89 V. It is noteworthy that the open-circuit voltage was up to 0.89 V, which is more than 0.3 V that of PC60BM(Voc=0.56 V). Our result provides a feasible choice for PSCs with high open-circuit voltage.
引文
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[4]Sariciftci,N.S.;Smilowitz,L.;Heeger,A.J.Science 1992,258,1474.
[5]Zhao,H.Y.;Guo,X.Y.;Tian,H.K.;Li,C.Y.;Xie,Z.Y.;Geng,Y.H.;Wang,F.S.J.Mater.Chem.2010,20,3092.
[6]Choi,J.H.;Son,K.I.;Kim,T.;Kim,K.;Ohkubo,K.;Fukuzumi,S.J.Mater.Chem.2010,20,475.
[7]Chang,C.L.;Liang,C.W.;Syu,J.J.;Wang,L.;Leung,M.K.Sol.Energy Mater.Sol.Cells 2011,95,2371.
[8]Deigado,J.L.;Martin,N.;de la Cruz P.;Langa,F.Chem.Soc.Rev.2011,40,5232.
[9]Backer,S.A.;Sivula,K.;Kavulak,D.F.;Fréchet,J.M.J.Chem.Mater.2007,19,2927.
[10]Lenes,M.;Wetzelaer,G.J.A.H.;Kooistra,F.B.;Veenstra,S.C.;Hummelen,J.C.;Blom,P.W.M.Adv.Mater.2008,20,2116.
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[12]Zhang,C.Y.;Chen,S.C.;Xiao,Z.;Zuo,Q.Q.;Ding,L M.Org.Lett.2012,14,1508.
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[18]Frisch,M.J.;Trucks,G.W.;Schlegel,H.B.;Scuseria,G.E.;Robb,M.A.;Cheeseman,J.R.;Zakrzewski,V.G.;Montgomery,J.A.;Stratmann,R.E.;Burant,J.C.;Dapprich,S.;Daniels,A.D.;Kudin,K.N.;Strain,M.C.;Farkas,O.;Tomasi,J.;Barone,V.;Cossi,M.;Cammi,R.;Mennucci,B.;Pomelli,C.;Adamo,C.;Clifford,S.;Ochterski,J.;Peterson,G.A.;Ayala,P.Y.;Cui,Q.;Morokuma,K.;Malik,D.K.;Rabuk,A.D.;Raghavachari,K.;Foresman,J.B.;Cioslowski,J.;Ortiz,J.V.;Stefanov,B.B.;Liu,G.;Liashenko,A.;Piskorz,P.;Komaromi,I.;Gomperts,R.;Martin,R.L.;Fox,D.J.;Keith,T.;Al-Laham,M.A.;Peng,C.Y.;Nanayakkara,A.;Gonzalez,C.;Chalacombe,M.;Gill,P.M.W.;Johnson,B.G.;Chen,W.;Wong,M.W.;Andres,J.L.;Head-Gordon,M.;Replogle,E.S.;Pople,J.A.GAUSSIAN 2003,Gaussian,Inc.,Pittsburgh,PA,2003.
[19]Liu,S.J.;Zhang,K.;Lu,J.M.;Zhang,J.;Yip,H.-L.;Cao,Y.J.Am.Chem.Soc.2013,135,15326
[20]Maji,M.S.;Pfeifer,T.;Studer,A.Chem.-Eur.J.2010,16,5872
[21]Ouyang,X.H.;Chen,D.C.;Zeng,S.M.;Zhang,X.Y.;Su,S.J.;Ge,Z.Y.J.Mater.Chem.2012,22,23005