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Twist and Degrade—Impact of Molecular Structure on the Photostability of Nonfullerene Acceptors and Their Photovoltaic Blends

机译:分子结构对非氟联受体的光稳定性的扭曲和降低 - 它们的光稳定性

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摘要

Nonfullerene acceptors (NFAs) dominate organic photovoltaic (OPV) research due to their promising efficiencies and stabilities. However, there is very little investigation into the molecular processes of degradation, which is critical to guiding design of novel NFAs for long-lived, commercially viable OPVs. Here, the important role of molecular structure and conformation in NFA photostability in air is investigated by comparing structurally similar but conformationally different promising NFAs: planar O-IDTBR and nonplanar O-IDFBR. A three-phase degradation process is identified: i) initial photoinduced conformational change (i.e., torsion about the core-benzothiadiazole dihedral), induced by noncovalent interactions with environmental molecules, ii) followed by photo-oxidation and fragmentation, leading to chromophore bleaching and degradation product formation, and iii) finally complete chromophore bleaching. Initial conformational change is a critical prerequisite for further degradation, providing fundamental understanding of the relative stability of IDTBR and IDFBR, where the already twisted IDFBR is more prone to degradation. When blended with the donor polymer poly(3-hexylthiophene), both NFAs exhibit improved photostability while the photostability of the polymer itself is significantly reduced by the more miscible twisted NFA. The findings elucidate the important role of NFA molecular structure in photostability of OPV systems, and provide vital insights into molecular design rules for intrinsically photostable NFAs.
机译:由于他们有希望的效率和稳定性,非勒德兰受体(NFAS)主导有机光伏(OPV)研究。然而,对降解的分子过程几乎没有调查,这对于长寿商业上可行的OPV的新型NFA的设计至关重要。这里,通过比较结构相似但构象不同的有前途的NFAS:平面O-IDTBR和非平面O IDFBR来研究空气中的分子结构和符合在空气中的兼容性在空气中的重要作用。鉴定了三相降解过程:i)初始光致孔构象变化(即,核心 - 苯并噻唑二面唑二面瘤的扭转),由与环境分子,II)的非共价相互作用诱导,然后进行光氧化和破碎化,导致发色团漂白和降解产物形成,III)最终完全形成发色团漂白剂。初始构象变化是进一步降级的关键先决条件,提供对IDTBR和IDFBR的相对稳定性的基本理解,其中扭曲的IDFBR更容易降低。当与供体聚合物聚合物(3-己基噻吩)混合时,两种NFA表现出改善的光稳定性,同时聚合物本身的光稳定性通过更混溶的扭曲NFA显着降低。该研究结果阐明了NFA分子结构在OPV系统的光稳定性中的重要作用,并为本质上光稳定NFA的分子设计规则提供了重要的见解。

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  • 来源
    《Advanced energy materials》 |2019年第15期|1803755.1-1803755.14|共14页
  • 作者单位

    Imperial Coll London Dept Phys London SW7 2AZ England|Imperial Coll London Ctr Plast Elect London SW7 2AZ England;

    Swansea Univ Coll Engn SPECIFIC IKC Bay Campus Fabian Way Swansea SA1 8EN W Glam Wales;

    Imperial Coll London Dept Chem London SW7 2AY England|Imperial Coll London Ctr Plast Elect London SW7 2AY England;

    Swansea Univ Med Sch EPSRC UK Natl Mass Spectrometry Facil NMSF Singleton Pk Swansea SA2 8PP W Glam Wales;

    Swansea Univ Coll Engn SPECIFIC IKC Bay Campus Fabian Way Swansea SA1 8EN W Glam Wales;

    Swansea Univ Coll Engn SPECIFIC IKC Bay Campus Fabian Way Swansea SA1 8EN W Glam Wales;

    Cardiff Univ Sch Engn Cardiff CF24 3AA S Glam Wales;

    Swansea Univ Coll Engn SPECIFIC IKC Bay Campus Fabian Way Swansea SA1 8EN W Glam Wales;

    Imperial Coll London Dept Chem London SW7 2AY England|Imperial Coll London Ctr Plast Elect London SW7 2AY England|KSC King Abdullah Univ Sci & Technol Thuwal 239556900 Saudi Arabia;

    CSEM Brasil Ctr Inovacoes Av Jose Candido da Silveira 2000 Horto Florestal BR-31035536 Belo Horizonte MG Brazil;

    Swansea Univ Coll Engn SPECIFIC IKC Bay Campus Fabian Way Swansea SA1 8EN W Glam Wales|Imperial Coll London Dept Chem London SW7 2AY England|Imperial Coll London Ctr Plast Elect London SW7 2AY England;

    Imperial Coll London Dept Phys London SW7 2AZ England|Imperial Coll London Ctr Plast Elect London SW7 2AZ England;

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    conformational change; nonfullerene acceptor molecular structures; nonfullerene acceptors; organic solar cells; photostability;

    机译:构象变化;非勒德兰人受体分子结构;非勒德兰人受体;有机太阳能电池;光稳定性;

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