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Theoretical study on aggregation of organic dyes on TiO2 surface in dye-sensitized solar cells

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Abstract

A combined density functional tight-binding (DFTB) and density functional theory (DFT) study was performed on the aggregation of C214 dyes on (TiO2)124 cluster. The aggregation interactions were discussed in terms of structure and optical properties.

© 2013 Optical Society of America

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