Proceedings of 6th International Conference on Hybrid and Organic Photovoltaics (HOPV14)
Publication date: 1st March 2014
The sensitizer used in the dye-sensitized solar cells (DSSCs) is one of the key components for high power conversion efficiencies. Ruthenium sensitizers such as N3, N719 and the black dye exhibit high performance and good stability, which showedcertified efficiency of over 11%. We present here a theoretical and experimental study on the novel heteroleptic amphiphilic ruthenium sensitizer candidates, from which higher photo-to-electric conversion efficiencies than that of N3 are obtained. A series of novel heteroleptic amphiphilic ruthenium sensitizer candidates were designed and studied using the density functional theory and time-dependent density functional theory calculations. The influenceof–COOH,-CN and the -C= C-group between the pyridine ring and the carboxylic acid group were discussed, throughthefrontier molecular orbital energy levels, the electron orbital space distribution and the electronic absorption spectra. The sensitizer candidates promising to provide higher efficiencies than that of N3 were screened. The representative sensitizer candidates of each type were synthesized and manufactured into solar cell devices. The efficiencies of 7.70% for L131, 7.85% for L132 and 6.84% for L133 were obtained compared with 6.37% for N3 under the same conditions.
Fig. 1. Molecular structures and photo-to-electric conversion efficiencies of the sensitizers
[1] Hagfeldt, A.; Boschloo, G.; Sun, L.; Kloo, L.; Pettersson, H. Dye-Sensitized Solar Cells. Chem. Rev. 110 (2010) 6595-6663. [2] Nazeeruddin, Md. K.; De Angelis, F.; Fantacci, S.; Selloni, A.; Viscardi, G.; Liska, P.; Ito, S.; Takeru, B.; Graezel, M. Combined Experimental and DFT-TDDFT Computational Study of Photoelectrochemical Cell Ruthenium Sensitizers. J. Am. Chem. Soc. 127(2005) 16835-16847.
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