Dye-sensitized solar cells and complexes between pyridines and iodines: A NMR, IR and DFT study

Poul Erik Hansen, Nguyen Tuyet Phuong, Jacob Krake, Jens Spanget-Larsen, Torben Lund

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Interactions between triiodide (I3) and 4-tert-butylpyridine (4TBP) as postulated in dye-sensitized solar cells (DSC) are investigated by means of 13C NMR and IR spectroscopy supported by DFT calculations. The charge transfer (CT) complex 4TBP∙I2 and potential salts such as (4TBP)2I+, I3 were synthesized and characterized by IR and 13C NMR spectroscopy. However, mixing (butyl)4N+, I3 and 4TBP at concentrations comparable to those of the DSC solar cell did not lead to any reaction. Neither CT complexes nor cationic species like (4TBP)2I+ were observed, judging from the 13C NMR spectroscopic evidence. This questions the previously proposed formation of (4TBP)2I+ in DSC cells.

Original languageEnglish
JournalSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
Pages (from-to)247-251
Number of pages5
Publication statusPublished - 2012

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