Abstract
Two new organic dyes, WS-2.1 and WS-2.2—derivatives of the known dye WS-2—are computationally designed using a recently developed approach with a broad absorption peak at around 775 nm in acetonitrile for WS-2.2 versus 610 nm for WS-2. The red shift includes a significant contribution due to vibrations and is not reproduced by standard computational methods. The oxidation and reduction potentials of the dye render it well suited for use in dye-sensitized solar cells.
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Acknowledgments
This work was supported by the Ministry of Education of Singapore through Tier 1 AcRF grant (R-265-000-430-133).
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Manzhos, S. Computational design of new organics dyes with improved solar absorbance for dye-sensitized solar cells. MRS Communications 3, 37–39 (2013). https://doi.org/10.1557/mrc.2012.34
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DOI: https://doi.org/10.1557/mrc.2012.34