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首页> 外文期刊>Organic Electronics >Design strategies of metal free-organic sensitizers for dye sensitized solar cells: Role of donor and acceptor monomers
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Design strategies of metal free-organic sensitizers for dye sensitized solar cells: Role of donor and acceptor monomers

机译：染料敏化太阳能电池的金属自由有机敏化剂的设计策略：供体和受体单体的作用

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摘要

A series of metal free organic sensitizers have been designed and their optoelectronic properties for DSSC applications have been systematically investigated using density functional theory (DFT) and time dependent density functional theory (TD-DFT) methods. The role of donor/acceptor monomers on the electron donating/withdrawing abilities has been discussed and promising donor-acceptor combinations are screened. Based on this screening, some of novel metal free sensitizers have been designed and their electronic and spectral properties have been investigated using DFT/TDDFT methods. Qur results show that the designed molecules are promising candidates to provide good performances as sensitizers in the DSSC applications.
机译：设计了一系列不含金属的有机敏化剂，并使用密度泛函理论（DFT）和时间依赖密度泛函理论（TD-DFT）方法系统地研究了它们在DSSC应用中的光电性能。已经讨论了供体/受体单体对电子给体/吸体能力的作用，并筛选了有希望的供体-受体组合。基于此筛选，设计了一些新型的不含金属的敏化剂，并使用DFT / TDDFT方法研究了它们的电子和光谱性质。 Qur结果表明，设计的分子有望在DSSC应用中作为敏化剂提供良好的性能。

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  • 来源
    《Organic Electronics》 |2014年第6期|1205-1214|共10页
  • 作者

    Chieh-Yu Tseng; Fadlilatul Taufany; Santhanamoorthi Nachimuthu; Jyh-Chiang Jiang; Der-Jang Liaw;

  • 作者单位

    Department of Chemical Engineering, National Taiwan University of Science and Technology, Taipei 106, Taiwan, ROC;

    Department of Chemical Engineering, National Taiwan University of Science and Technology, Taipei 106, Taiwan, ROC;

    Department of Chemical Engineering, National Taiwan University of Science and Technology, Taipei 106, Taiwan, ROC;

    Department of Chemical Engineering, National Taiwan University of Science and Technology, Taipei 106, Taiwan, ROC;

    Department of Chemical Engineering, National Taiwan University of Science and Technology, Taipei 106, Taiwan, ROC;

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  • 原文格式 PDF
  • 正文语种 eng
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  • 关键词

    Organic dyes; DFT/TDDFT; Dual band; Donor-acceptor; Absorption spectra;

    机译：有机染料;DFT / TDDFT;双频;供体-受体;吸收光谱;

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