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Showing 1 to 2 of 2 for “"Croconate"”.
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Studies of interaction of dye molecules with TiO2 Brookite clusters for application in dye sensitized solar cells
… N3 complex, polyenediphenyl-aniline dye moiety, croconate dye molecules and three modelled surfaces of brookite which are (TiO2)5, (TiO2)8 and (TiO2) 68 for application in DSSCs. We also studied the absorption of the corresponding dye molecules on the three surfaces of brookite TiO2. Our findings …
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Density functional theory study of adsorption of cronconate dyes on TiO2 Anatase (010) and (100) surfaces
… functional theory (DFT) was used to model two croconate dyes (CR1 and CR2), one with an electron donating methyl group (CR1) and the other with an electron –withdrawing caboxyl group (CR2). The geometric, electronic and optical properties of these dyes were compared. The adsorption behaviour of …