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首页> 外文期刊>Advanced Functional Materials >Molecular Design of Unsymmetrical Squaraine Dyes for High Efficiency Conversion of Low Energy Photons into Electrons Using TiO_2 Nanocrystalline Films
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Molecular Design of Unsymmetrical Squaraine Dyes for High Efficiency Conversion of Low Energy Photons into Electrons Using TiO_2 Nanocrystalline Films

机译：TiO_2纳米晶薄膜用于低能光子高效转化为电子的不对称方酸染料的分子设计

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摘要

An optimized unsymmetrical squaraine dye 5-carboxy-2-[[3-[(2,3-dihydro-1, 1-dimethyl-3-ethyl-1H-benzo[e]indol-2-ylidene)methyl]-2-hydroxy-4-oxo-2-cyclobuten-1-ylideneJmethyl]-3,3-dimethyl-1-octyl-3H-indolium (SQ02) with carboxylic acid as anchoring group is synthesized for dye-sensitized solar cells (DSCs). Although the π-framework of SQ02 is insignificantly extended compared to its antecessor squaraine dye SQ01, photophysical measurements show that the new sensitizer has a much higher overall conversion efficiency η of 5.40% which is improved by 20% when compared to SQ01. UV-vis spectroscopy, cyclic voltammetry and time dependent density functional theory calculations are accomplished to rationalize the higher conversion efficiency of SQ02. A smaller optical band gap including a higher molar absorption coefficient leads to improved light harvesting of the solar cell and a broadened photocurrent spectrum. Furthermore, all excited state orbitals relevant for the π-π~* transition in SQ02 are delocalized over the carboxylic acid anchoring group, ensuring a strong electronic coupling to the conduction band of TiO_2 and hence a fast electron transfer.
机译：优化的不对称方酸染料5-羧基-2-[[3-[（2,3-二氢-1，1-二甲基-3-乙基-1H-苯并[e]吲哚-2-亚烷基]甲基] -2-]合成了以羧酸为锚固基的羟基-4-氧代-2-环丁烯-1-基[甲基] -3,3-二甲基-1-辛基-3H-吲哚（SQ02），用于染料敏化太阳能电池（DSC）。尽管SQ02的π构架与其前辈方酸方蓝SQ01相比没有显着的扩展，但光物理测量表明，新型敏化剂的总转化效率η为5.40％，与SQ01相比提高了20％。完成了紫外可见光谱，循环伏安法和随时间变化的密度泛函理论计算，以合理化SQ02的更高转化效率。具有较高摩尔吸收系数的较小的光学带隙导致改进的太阳能电池的光收集和较宽的光电流谱。此外，与SQ02中的π-π〜*跃迁相关的所有激发态轨道都在羧酸固定基团上离域，从而确保与TiO_2导带的强电子耦合，从而实现快速电子转移。

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  • 来源
    《Advanced Functional Materials》 |2009年第17期|2720-2727|共8页
  • 作者

    Thomas Ceiger; Simon Kuster; Jun-Ho Yum; Soo-Jin Moon; Mohammad K. Nazeeruddin; Michael Craetzel; Frank Nueesch;

  • 作者单位

    Empa, Swiss Federal Laboratories for Materials Testing and Research Laboratory for Functional Polymers Uberlandstrasse 129, 8600 Dubendorf (Switzerland);

    Empa, Swiss Federal Laboratories for Materials Testing and Research Laboratory for Functional Polymers Uberlandstrasse 129, 8600 Dubendorf (Switzerland);

    Laboratory for Photonics and Interfaces Institute of Chemical Sciences and Engineering School of Basic Sciences, Swiss Federal Institute of Technology 1015 Lausanne (Switzerland);

    Laboratory for Photonics and Interfaces Institute of Chemical Sciences and Engineering School of Basic Sciences, Swiss Federal Institute of Technology 1015 Lausanne (Switzerland);

    Laboratory for Photonics and Interfaces Institute of Chemical Sciences and Engineering School of Basic Sciences, Swiss Federal Institute of Technology 1015 Lausanne (Switzerland);

    Laboratory for Photonics and Interfaces Institute of Chemical Sciences and Engineering School of Basic Sciences, Swiss Federal Institute of Technology 1015 Lausanne (Switzerland);

    Empa, Swiss Federal Laboratories for Materials Testing and Research Laboratory for Functional Polymers Uberlandstrasse 129, 8600 Dubendorf (Switzerland);

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