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Can a temporary bond between dye and redox mediator increase the efficiency of p-type dye-sensitized solar cells?

Journal of Molecular Modeling volume 24, Article number: 317 (2018) Cite this article

Abstract

Efficient n-type dye-sensitized solar cells are known since the seminal work of O’Reagan and Grätzel in 1991. However, highly efficient p-type dye-sensitized solar cells have not been developed so far. This hinders the construction of tandem dye-sensitized solar cells, which can surpass the performance of n-type devices. Within this work, we investigate if a temporary coordination of transition metal-based redox mediators at a sensitizer can increase the efficiency of p-type dye-sensitized solar cells. Based on a computational screening, diverse Cu, Ni, and Co redox mediators were selected to construct p-type dye-sensitized solar cells. Unfortunately, the efficiency of the investigated devices does not surpass analogous cells with iodide-triiodide as redox mediator. While Ni and Cu complexes might be reduced to Ni(0) and Cu(0), respectively, the investigated Co-complex quenches the excited state efficiently. As a result, the necessary electron injection from the semiconductor is too slow, which hinders the construction of a highly efficient p-type dye-sensitized solar cell.

Comparison of the mode of action of p-type dye-sensitized solar cells. While top shows the traditional one, bottom shows the investigated devices where a temporary link between dye and redox mediator plays a crucial role.

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Acknowledgements

S. Zahn and H. Krautscheid thank the Deutsche Forschungsgemeinschaft (DFG) for financial support (project ZA 606/4-1 and KR 1675/9-1). Computational time from the ZIH Dresden is gratefully acknowledged.

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Authors and Affiliations

  1. Institut für Anorganische Chemie, Universität Leipzig, Johannisallee 29, 04103, Leipzig, Germany

    Stefan Merker & Harald Krautscheid

  2. Leibniz Institute of Surface Engineering (IOM), Permoserstraße 15, 04318, Leipzig, Germany

    Stefan Zahn

Authors
  1. Stefan Merker
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  2. Harald Krautscheid
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  3. Stefan Zahn
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Correspondence to Stefan Zahn.

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Merker, S., Krautscheid, H. & Zahn, S. Can a temporary bond between dye and redox mediator increase the efficiency of p-type dye-sensitized solar cells?. J Mol Model 24, 317 (2018). https://doi.org/10.1007/s00894-018-3848-8

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  • DOI: https://doi.org/10.1007/s00894-018-3848-8

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