The nature of vertical excited states of dyes containing metals for DSSC applications: insights from TD-DFT and density based indexes.


Transition metal complexes, typically Ru-based complexes, are the most efficient dyes used in dye-sensitized solar cells. The absorption spectra of these molecules generally involve numerous electronic transitions, which are not equivalent for the conversion of the light into electricity. In the present manuscript, an analysis of each electronic transition… (More)
DOI: 10.1039/c3cp55032j


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