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pmid: 24129651
Poster presenting our recent paper in which we have performed a computational Density Functional Theory based screening of 1029 functionalized zinc porphyrins dyes for use in Dye Sensitized Solar Cells. We present the fundamental and optical gaps and use these to asign a level alignment quality to the dye candidates.
Titanium, Metalloporphyrins, Solar Energy, Quantum Theory, Electrons, Coloring Agents, Dye Sensitized Solar Cells, DFT, computational screening, zinc porphyrins
Titanium, Metalloporphyrins, Solar Energy, Quantum Theory, Electrons, Coloring Agents, Dye Sensitized Solar Cells, DFT, computational screening, zinc porphyrins
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