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In this study, we have designed a series of metal-free organic D-π-A (electron donor-π-conjugated-acceptor) dyes employed in dye-sensitized solar cells (DSSCs). The optimized structures and photo-physical properties of these dyes have been investigated by using the density functional theory (DFT/B3LYP/6-31G(d)) method. These dyes consist of electron-donor (triphenylamine, coumarine, fluorene, etc)...
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