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Quinoxaline-Containing Nonfullerene Small-Molecule Acceptors with a Linear A2-A1-D-A1-A2 Skeleton for Poly(3-hexylthiophene)-Based Organic Solar Cells
ACS Applied Materials & Interfaces ( IF 9.5 ) Pub Date : 2018-03-09 00:00:00 , DOI: 10.1021/acsami.8b00216
Bo Xiao 1, 2 , Ailing Tang 1 , Jing Yang 1, 2 , Asif Mahmood 1, 2 , Xiangnan Sun 1 , Erjun Zhou 1
Affiliation  

We used the quinoxaline (Qx) unit to design and synthesize two nonfullerene small-molecule acceptors of Qx1 and Qx1b with an A2-A1-D-A1-A2 skeleton, where indacenodithiophene (IDT), Qx, and rhodanine (R) were adopted as the central donor (D), bridge acceptors (A1), and terminal acceptors (A2), respectively. Qx1 and Qx1b contain different side chains of 4-hexylphenyl and octyl in the central IDT segment to modulate the properties of final small molecules. Both small molecules show good thermal stability, high solubility, and strong and broad absorption spectra with optical band gaps of 1.74 and 1.68 eV, respectively. Qx1 and Qx1b exhibit the complementary absorption spectra with the classic poly(3-hexylthiophene) (P3HT) and the high-lying lowest unoccupied molecular orbital energy levels of −3.60 and −3.66 eV, respectively. Polymer solar cells based on P3HT:Qx1 showed a high open-circuit voltage (Voc) of 1.00 V and a power conversion efficiency (PCE) of 4.03%, whereas P3HT:Qx1b achieved a Voc of 0.95 V and a PCE of 4.81%. These results demonstrate that the Qx unit is also an effective building block to construct promising n-type nonfullerene small molecules to realize a relatively high Voc and PCE for P3HT-based solar cells.

中文翻译:

含喹喔啉的非富勒烯小分子受体,具有线性A 2 -A 1 -DA 1 -A 2骨架,适用于基于聚(3-己基噻吩)的有机太阳能电池

我们使用喹喔啉(Qx)单元设计和合成了两个具有A 2 -A 1 -DA 1 -A 2骨架的Qx1和Qx1b非富勒烯小分子受体,其中茚满二噻吩(IDT),Qx和罗丹宁(R)被用作中央供体(D),桥受体(A 1)和末端受体(A 2), 分别。Qx1和Qx1b在中央IDT片段中包含4-己基苯基和辛基的不同侧链,以调节最终小分子的性质。两种小分子均显示出良好的热稳定性,高溶解度以及强和宽的吸收光谱,其光学带隙分别为1.74和1.68 eV。Qx1和Qx1b表现出与经典聚(3-己基噻吩)(P3HT)互补的吸收光谱,以及处于最高的最低空位分子轨道能级,分别为-3.60和-3.66 eV。基于P3HT:Qx1的聚合物太阳能电池显示出1.00 V的高开路电压(V oc)和4.03%的功率转换效率(PCE),而P3HT:Qx1b则达到了V oc0.95 V的电压和4.81%的PCE。这些结果表明,Qx单元也是构建有前途的n型非富勒烯小分子的有效构件,以实现基于P3HT的太阳能电池相对较高的V oc和PCE。
更新日期:2018-03-09
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