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Frédéric B. Anne, Nicolas Galland and Denis Jacquemin Computing redox potentials for dyes used in p-type dye-sensitized solar cells International Journal of Quantum Chemistry 112

Article first published online: 15 JUN 2012 | DOI: 10.1002/qua.24215

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The redox potentials of ruthenium dyes used in p-type dye-sensitized solar cells are investigated with a variety of density functional theory approaches. An efficient computational protocol has been designed, and it is shown that the selected functional's impact on the predicted localization of the oxidation and/or reduction.

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