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Unexpected Opposite Influences of Para vs Ortho Backbone Fluorination on the Photovoltaic Performance of a Wide-Bandgap Conjugated Polymer
Chemistry of Materials ( IF 8.6 ) Pub Date : 2017-11-02 00:00:00 , DOI: 10.1021/acs.chemmater.7b03025
Mian Cai 1, 2 , Xichang Bao 1 , Yan Fang Liu 1 , Chenchen Li 1, 2 , Xiao Wang 1 , Zhenggang Lan 1 , Renqiang Yang 1 , Xiaobo Wan 1, 2
Affiliation  

Fluorination density and regioregularity are known factors that have high impact on the performance of organic solar cells; however, due to the limited available fluorination positions, the influence of backbone fluorination positions (such as ortho, para, and meta) has not been well studied. Here we disclose that the fluorination position on a conjugated polymer backbone may have completely opposite effects on its performance. Specifically, compared to the nonfluorinated control, Devices fabricated with the conjugated polymer based on para-fluorinated dibenzo[c,h][2,6]naphthyridine-5,11-(6H,12H)-dione (DBND) block exhibit improved power conversion efficiencies (PCEs) up to 6.55%, while devices fabricated with the conjugated polymer based on ortho-fluorinated DBND block exhibit much worse PCEs as low as 1.44%, although both polymers have similar HOMO/LUMO levels, bandgaps, and backbone torsion angles. It is found that different fluorination positions result in different dipole moments, intermolecular binding energies, and syn/anti conformer ratios, which eventually lead to the distinct phase-separation behaviors of the corresponding solar cells.

中文翻译:

对位和邻位主链氟化对宽带隙共轭聚合物光伏性能的意外相反影响

氟化密度和区域规则性是对有机太阳能电池性能产生重大影响的已知因素。但是,由于可用的氟化位置有限,对骨架氟化位置(如邻位,对位和间位)的影响尚未得到很好的研究。在这里,我们公开了共轭聚合物主链上的氟化位置对其性能可能具有完全相反的作用。具体而言,与非氟化对照相比,使用基于对氟二苯并[ ch ] [2,6]萘啶-5,11-(6 H,12 H-二酮(DBND)嵌段显示出高达6.55%的改进的功率转换效率(PCE),而使用基于正氟化DBND嵌段的共轭聚合物制造的器件显示出低至1.44%的较差PCE,尽管两种聚合物具有相似的HOMO / LUMO级别,带隙和主干扭转角。发现不同的氟化位置导致不同的偶极矩,分子间结合能和顺/反构象比,最终导致相应太阳能电池的不同相分离行为。
更新日期:2017-11-02
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