Through changing the terminated groups, three asymmetric non-fullerene acceptors containing a 4,4,9,9-tetramethyl-4,9-dihydroselenopheno[2',3':5,6]-s-indaceno[1,2-b]thiophene fused-ring core were designed and synthesized. The resultant acceptor-donor-acceptor (A-D-A) type of small molecules all show broad absorption spectra with tunable molecular energy levels and distinct molar extinction coefficients in solutions. The 2-(3-oxo-2,3-dihydro-1H-inden-1-ylidene)malononitrile terminated molecule (T-Se), has the smallest molar extinction coefficient of 1.83×10⁵ M^-1cm^-1 with a bandgap of 1.62 eV, and a high-lying lowest unoccupied molecular orbital (LUMO) energy level (-3.83 eV). For the fluorinated molecule T-Se-4F, its molar absorption coefficient is enhanced to 2.05×10⁵ M^-1 cm^-1, and its bandgap is narrowed to 1.58 eV, while its LUMO energy level is down-shifted to -3.93 eV. As for the molecule T-Se-Th having thiophene functionalized end-group, although the acquired LUMO energy level (-3.88 eV) is in between that of T-Se and T-Se-4F, it possesses the largest molar extinction coefficient (2.40×10⁵ M^-1cm^-1), and a moderate bandgap of 1.60 eV. In solar cells with PM6 as electron-donor, the T-Se-4F- and T-Se-Th-based devices have superior exciton dissociation and charge collection properties, more weakly bimolecular recombination probabilities, and better electron transportability. As the results of the preceding characteristics, the T-Se-4F- and T-Se-Th-based devices achieve a higher current of 18.09 and 16.90 mA cm^-2, better fill factors of 66.6 and 66.8%, relative to the 12.80 mA cm^-2 and 62.1% of the T-Se-based device. Benefitting from the medium open-circuit voltage (V_OC, 0.912 V), the T-Se-Th-based device successfully achieved the best power conversion efficiency of 10.29% among the three molecules. In contrast, the T-Se- and T-Se-4F-based devices owned the highest V_OC of 0.935 V and the lowest V_OC of 0.781 V, leading to the low efficiency of 7.44% and moderate efficiency of 9.41%, respectively, revealing the significant impact of the terminal groups on the properties of 4,4,9,9-tetramethyl-4,9-dihydroselenopheno[2',3':5,6]-s-indaceno[1,2-b]thiophene based asymmetric non-fullerene acceptors.

通过改变封端的基团，含一个4,4,9,9四甲基-4,9- dihydroselenopheno 3个不对称非富勒烯受体[2' ，3' ：5,6] -小号-indaceno [1,2- b设计并合成了噻吩稠环核。所得的受体-受体-受体（ADA）类型的小分子均显示出宽的吸收光谱，具有可调节的分子能级和溶液中不同的摩尔消光系数。2-（3-氧代-2,3-二氢-1 H-茚-1-亚甲基）丙二腈封端的分子（T-Se）的最小消光系数为1.83×10 ⁵ M ^-1 cm ^-1具有1.62 eV的带隙和高度最低的未占用分子轨道（LUMO）能量水平（-3.83 eV）。对于氟化分子T-Se-4F，其摩尔吸收系数提高到2.05×10 ⁵ M ^-1 cm ^-1，带隙缩小到1.58 eV，而LUMO能级降低到-3.93 eV 。对于具有噻吩官能化端基的分子T-Se-Th，尽管获得的LUMO能级（-3.88 eV）在T-Se和T-Se-4F的能级之间，但它具有最大的摩尔消光系数（ 2.40×10 ⁵ M ^-1厘米^-1）和1.60 eV的中带隙。在太阳能电池中使用如PM6电子给体中，T-硒4F-和T-硒TH-基于器件具有优越的激子解离和电荷收集性能，更弱的生物分子重组的概率，以及更好的电子传输。由于前述特性的结果中，该T-硒4F-和T-硒TH-基础的装置实现的18.09和16.90毫安厘米较高的电流^-2，66.6更好的填充因子和66.8％，相对于12.80 mA cm ^-2和占T-Se基器件的62.1％。得益于中等的开路电压（V _OC，0.912 V），T-Se-Th的器件成功实现了这三个分子中10.29％的最佳功率转换效率。相反，T-SE-和T-硒4F-基础的设备所拥有的最高V _OC 0.935Ⅴ的和最低的V _OC 0.781Ⅴ的，导致7.44％的低效率和9.41％中等效率，分别，揭示了末端基团的上4,4,9,9四甲基-4,9- dihydroselenopheno的性质的影响显著[2' ，3' ：5,6] -小号-indaceno [1,2 b ]噻吩基不对称非富勒烯受体。