A high molar extinction coefficient charge transfer sensitizer and its application in dye-sensitized solar cell |
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Affiliation: | 1. Laboratory for Photonics and Interfaces, Institute of Chemical Sciences and Engineering, Ecole Polytechnique Fédérale de Lausanne, Station 6, CH-1015 Lausanne, Switzerland;2. Environmental Material Laboratory, Material Science of Engineering, Graduate School of Engineering, Shibaura Institute of Technology, Shibaura, Minatoku, Tokyo, Japan;3. Istituto CNR di Scienze e Tecnologie Molecolari (ISTM-CNR), c/o Dipartimento di Chimica, Università di Perugia, I-06123 Perugia, Italy |
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Abstract: | A high molar extinction coefficient charge transfer sensitizer tetrabutylammonium [Ru(4,-carboxylic acid-4′-carboxylate-2,2′-bipyridine)(4,4′-di-(2-(3,6-dimethoxyphenyl)ethenyl)-2,2′-bipyridine)(NCS)2], is developed which upon anchoring onto nanocrystalline TiO2 films exhibit superior power conversion efficiency compared to the standard sensitizer bistetrabutylammonium cis-dithiocyanatobis(4,4′-dicarboxylic acid-2,2′-bipyridine)ruthenium(II) (N719). The new sensitizer anchored TiO2 films harvest visible light very efficiently over a large spectral range and produce a short-circuit photocurrent density of 18.84 mA/cm2, open-circuit voltage 783 mV and fill factor 0.73, resulting remarkable solar-to-electric energy conversion efficiency (η) 10.82, under Air Mass (AM) 1.5 sunlight. The Time Dependent Density Functional Theory (TDDFT) excited state calculations of the new sensitizer show that the first three HOMOs have ruthenium t2g character with sizable contribution coming from the NCS ligands and the π-bonding orbitals of the 4,4′-di-(2-(3,6-dimethoxyphenyl)ethenyl)-2,2′-bipyridine. The LUMO is a π* orbital localized on the 4,4′-dicarboxylic acid-2,2′-bipyridine ligand. |
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