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Design of OsII-based Sensitizers for Dye-Sensitized Solar Cells: Influence of Heterocyclic Ancillaries

Authors

  • Fa-Chun Hu,

    1. Department of Chemistry and Low Carbon Energy Research Center, National Tsing Hua University, Hsinchu 30013 (Taiwan)
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  • Sheng-Wei Wang,

    1. Department of Chemistry and Low Carbon Energy Research Center, National Tsing Hua University, Hsinchu 30013 (Taiwan)
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  • Dr. Miquel Planells,

    1. EaStCHEM, School of Chemistry, University of Edinburgh, King's Buildings, West Mains Road, Edinburgh EH9 3 JJ (UK)
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  • Dr. Neil Robertson,

    Corresponding author
    1. EaStCHEM, School of Chemistry, University of Edinburgh, King's Buildings, West Mains Road, Edinburgh EH9 3 JJ (UK)
    • Neil Robertson, EaStCHEM, School of Chemistry, University of Edinburgh, King's Buildings, West Mains Road, Edinburgh EH9 3 JJ (UK)

      Yun Chi, Department of Chemistry and Low Carbon Energy Research Center, National Tsing Hua University, Hsinchu 30013 (Taiwan)

      Hao-Wu Lin, Department of Materials Science and Engineering, National Tsing Hua University, Hsinchu 30013 (Taiwan)

      Pi-Tai Chou, Department of Chemistry, National Taiwan University, Taipei 10617 (Taiwan)

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  • Dr. Harihara Padhy,

    1. Department of Chemistry and Low Carbon Energy Research Center, National Tsing Hua University, Hsinchu 30013 (Taiwan)
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  • Bo-Sian Du,

    1. Department of Chemistry and Low Carbon Energy Research Center, National Tsing Hua University, Hsinchu 30013 (Taiwan)
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  • Prof. Dr. Yun Chi,

    Corresponding author
    1. Department of Chemistry and Low Carbon Energy Research Center, National Tsing Hua University, Hsinchu 30013 (Taiwan)
    • Neil Robertson, EaStCHEM, School of Chemistry, University of Edinburgh, King's Buildings, West Mains Road, Edinburgh EH9 3 JJ (UK)

      Yun Chi, Department of Chemistry and Low Carbon Energy Research Center, National Tsing Hua University, Hsinchu 30013 (Taiwan)

      Hao-Wu Lin, Department of Materials Science and Engineering, National Tsing Hua University, Hsinchu 30013 (Taiwan)

      Pi-Tai Chou, Department of Chemistry, National Taiwan University, Taipei 10617 (Taiwan)

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  • Po-Fan Yang,

    1. Department of Materials Science and Engineering, National Tsing Hua University, Hsinchu 30013 (Taiwan)
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  • Prof. Dr. Hao-Wu Lin,

    Corresponding author
    1. Department of Materials Science and Engineering, National Tsing Hua University, Hsinchu 30013 (Taiwan)
    • Neil Robertson, EaStCHEM, School of Chemistry, University of Edinburgh, King's Buildings, West Mains Road, Edinburgh EH9 3 JJ (UK)

      Yun Chi, Department of Chemistry and Low Carbon Energy Research Center, National Tsing Hua University, Hsinchu 30013 (Taiwan)

      Hao-Wu Lin, Department of Materials Science and Engineering, National Tsing Hua University, Hsinchu 30013 (Taiwan)

      Pi-Tai Chou, Department of Chemistry, National Taiwan University, Taipei 10617 (Taiwan)

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  • Dr. Gene-Hsiang Lee,

    1. Department of Chemistry, National Taiwan University, Taipei 10617 (Taiwan)
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  • Prof. Dr. Pi-Tai Chou

    Corresponding author
    1. Department of Chemistry, National Taiwan University, Taipei 10617 (Taiwan)
    • Neil Robertson, EaStCHEM, School of Chemistry, University of Edinburgh, King's Buildings, West Mains Road, Edinburgh EH9 3 JJ (UK)

      Yun Chi, Department of Chemistry and Low Carbon Energy Research Center, National Tsing Hua University, Hsinchu 30013 (Taiwan)

      Hao-Wu Lin, Department of Materials Science and Engineering, National Tsing Hua University, Hsinchu 30013 (Taiwan)

      Pi-Tai Chou, Department of Chemistry, National Taiwan University, Taipei 10617 (Taiwan)

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Abstract

A series of OsII sensitizers (TFOS-x, in which x=1, 2, or 3) with a single 4,4′-dicarboxy-2,2′-dipyridine (H2dcbpy) anchor and two chelating 2-pyridyl (or 2-pyrimidyl) triazolate ancillaries was successfully prepared. Single-crystal X-ray structural analysis showed that the core geometry of the OsII-based sensitizers consisted of one H2dcbpy unit and two eclipsed cis-triazolate fragments; this was notably different from the RuII-based counterparts, in which the azolate (both pyrazolate and triazolate) fragments are located at the mutual trans-positions. The basic properties were extensively probed by using spectroscopic and electrochemical methods as well as time-dependent density functional theory (TD-DFT) calculations. Fabrication of dye-sensitized solar cells (DSCs) was then attempted by using the I/I3-based electrolyte solution. One such DSC device, which utilized TFOS-2 as the sensitizer, showed promising performance characteristics with a short-circuit current density (JSC) of 15.7 mA cm−2, an open-circuit voltage of 610 mV, a fill factor of 0.63, and a power conversion efficiency of 6.08 % under AM 1.5G simulated one-sun irradiation. Importantly, adequate incident photon-to-current conversion efficiency performances were observed for all TFOS derivatives over the wide spectral region of 450 to 950 nm, showing a panchromatic light harvesting capability that extended into the near-infrared regime. Our results underlined a feasible strategy for maximizing JSC and increasing the efficiency of DSCs.

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