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Fine‐Tuning of Molecular Packing and Energy Level through Methyl Substitution Enabling Excellent Small Molecule Acceptors for Nonfullerene Polymer Solar Cells with Efficiency up to 12.54%
Advanced Materials ( IF 27.4 ) Pub Date : 2018-01-15 , DOI: 10.1002/adma.201706124 Zhenghui Luo 1, 2 , Haijun Bin 3 , Tao Liu 4 , Zhi-Guo Zhang 3 , Yankang Yang 3 , Cheng Zhong 1 , Beibei Qiu 3 , Guanghao Li 1 , Wei Gao 1 , Dongjun Xie 1 , Kailong Wu 1 , Yanming Sun 4 , Feng Liu 5 , Yongfang Li 3 , Chuluo Yang 1, 2
Advanced Materials ( IF 27.4 ) Pub Date : 2018-01-15 , DOI: 10.1002/adma.201706124 Zhenghui Luo 1, 2 , Haijun Bin 3 , Tao Liu 4 , Zhi-Guo Zhang 3 , Yankang Yang 3 , Cheng Zhong 1 , Beibei Qiu 3 , Guanghao Li 1 , Wei Gao 1 , Dongjun Xie 1 , Kailong Wu 1 , Yanming Sun 4 , Feng Liu 5 , Yongfang Li 3 , Chuluo Yang 1, 2
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A novel small molecule acceptor MeIC with a methylated end‐capping group is developed. Compared to unmethylated counterparts (ITCPTC), MeIC exhibits a higher lowest unoccupied molecular orbital (LUMO) level value, tighter molecular packing, better crystallites quality, and stronger absorption in the range of 520–740 nm. The MeIC‐based polymer solar cells (PSCs) with J71 as donor, achieve high power conversion efficiency (PCE), up to 12.54% with a short‐circuit current (JSC) of 18.41 mA cm−2, significantly higher than that of the device based on J71:ITCPTC (11.63% with a JSC of 17.52 mA cm−2). The higher JSC of the PSC based on J71:MeIC can be attributed to more balanced μh/μe, higher charge dissociation and charge collection efficiency, better molecular packing, and more proper phase separation features as indicated by grazing incident X‐ray diffraction and resonant soft X‐ray scattering results. It is worth mentioning that the as‐cast PSCs based on MeIC also yield a high PCE of 11.26%, which is among the highest value for the as‐cast nonfullerene PSCs so far. Such a small modification that leads to so significant an improvement of the photovoltaic performance is a quite exciting finding, shining a light on the molecular design of the nonfullerene acceptors.
中文翻译：
通过甲基取代对分子堆积和能级进行微调，使非富勒烯聚合物太阳能电池具有出色的小分子受体，效率高达12.54％
新型的带有甲基封端基团的小分子受体MeIC被开发出来。与未甲基化的对应物（ITCPTC）相比，MeIC在520-740 nm范围内表现出更高的最低未占据分子轨道（LUMO）水平值，更紧密的分子堆积，更好的微晶质量和更强的吸收性。以J71为供体的基于MeIC的聚合物太阳能电池（PSC）可实现高达12.54％的高功率转换效率（PCE），短路电流（J SC）为18.41 mA cm -2，远高于该设备基于J71：ITCPTC（11.63％，J SC为17.52 mA cm -2）。较高的J SC基于J71所述PSC的：MEIC可以归因于更平衡的μ ħ /μ ë，更高的电荷分离和电荷收集效率，更好的分子堆积，并且更合适的相分离设有由掠入射X射线衍射和谐振软所示X射线散射结果。值得一提的是，基于MeIC的铸态PSC的PCE也高达11.26％，这是迄今为止非富勒烯PSC铸件的最高值。如此微小的修改导致光伏性能的显着改善，这是一个非常令人兴奋的发现，为非富勒烯受体的分子设计提供了亮点。
更新日期：2018-01-15
中文翻译：
通过甲基取代对分子堆积和能级进行微调，使非富勒烯聚合物太阳能电池具有出色的小分子受体，效率高达12.54％
新型的带有甲基封端基团的小分子受体MeIC被开发出来。与未甲基化的对应物（ITCPTC）相比，MeIC在520-740 nm范围内表现出更高的最低未占据分子轨道（LUMO）水平值，更紧密的分子堆积，更好的微晶质量和更强的吸收性。以J71为供体的基于MeIC的聚合物太阳能电池（PSC）可实现高达12.54％的高功率转换效率（PCE），短路电流（J SC）为18.41 mA cm -2，远高于该设备基于J71：ITCPTC（11.63％，J SC为17.52 mA cm -2）。较高的J SC基于J71所述PSC的：MEIC可以归因于更平衡的μ ħ /μ ë，更高的电荷分离和电荷收集效率，更好的分子堆积，并且更合适的相分离设有由掠入射X射线衍射和谐振软所示X射线散射结果。值得一提的是，基于MeIC的铸态PSC的PCE也高达11.26％，这是迄今为止非富勒烯PSC铸件的最高值。如此微小的修改导致光伏性能的显着改善，这是一个非常令人兴奋的发现，为非富勒烯受体的分子设计提供了亮点。
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