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J Org Chem. 2007 Dec 7;72(25):9550-6. Epub 2007 Nov 3.

Tuning the HOMO and LUMO energy levels of organic chromophores for dye sensitized solar cells.

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  • 1Organic Chemistry, Center of Molecular Devices, Department of Chemistry, KTH Chemical Science and Engineering, 10044 Stockholm, Sweden.


A series of organic chromophores have been synthesized in order to approach optimal energy level composition in the TiO2-dye-iodide/triiodide system in the dye-sensitized solar cells. HOMO and LUMO energy level tuning is achieved by varying the conjugation between the triphenylamine donor and the cyanoacetic acid acceptor. This is supported by spectral and electrochemical experiments and TDDFT calculations. These results show that energetic tuning of the chromophores was successful and fulfilled the thermodynamic criteria for dye-sensitized solar cells, electrical losses depending on the size and orientation of the chromophores were observed.

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