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首页> 外文期刊>Advanced energy materials >Twist and Degrade—Impact of Molecular Structure on the Photostability of Nonfullerene Acceptors and Their Photovoltaic Blends
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Twist and Degrade—Impact of Molecular Structure on the Photostability of Nonfullerene Acceptors and Their Photovoltaic Blends

机译：扭曲和降解-分子结构对非富勒烯受体及其光伏混合物光稳定性的影响

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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：非富勒烯受体（NFA）由于其有希望的效率和稳定性而主导了有机光伏（OPV）研究。然而，很少有关于降解的分子过程的研究，这对于指导长寿命的，商业上可行的OPV的新型NFA的设计至关重要。在这里，通过比较结构相似但构象不同的有希望的NFA：平面O-IDTBR和非平面O-IDFBR，研究了分子结构和构象在空气中NFA光稳定性中的重要作用。确定了一个三个阶段的降解过程：i）最初的光诱导构象变化（即，围绕核心-苯并噻二唑二面体的扭转），是由与环境分子的非共价相互作用引起的； ii）随后是光氧化和破碎，导致生色团漂白和降解产物的形成，和iii）最后完成生色团的漂白。初始构象变化是进一步降解的关键先决条件，它为IDTBR和IDFBR的相对稳定性提供了基本的了解，而IDTBR已经扭曲的IDFBR更容易降解。当与供体聚合物聚（3-己基噻吩）共混时，两种NFA均显示出改善的光稳定性，而聚合物本身的光稳定性由于易混溶的扭曲NFA而大大降低。这些发现阐明了NFA分子结构在OPV系统的光稳定性中的重要作用，并为本质上光稳定的NFA的分子设计规则提供了重要的见识。

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

    Luke Joel; Speller Emily M.; Wadsworth Andrew; Wyatt Mark F.; Dimitrov Stoichko; Lee Harrison K. H.; Li Zhe; Tsoi Wing C.; McCulloch Iain; Bagnis Diego; Durrant James R.; Kim Ji-Seon;

  • 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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  • 正文语种 eng
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  • 关键词

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

    机译：构象变化;富勒烯受体分子结构;富勒烯受体;有机太阳能电池;光稳定性;

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