Theoretical investigation for dye-sensitized solar cells: effect of donor variation on the optoelectronic properties and charge transfer parameters

In this study, we are interested to the effect of the variation in donor groups (D) mainly carbazole, triphenylamine, diethylaniline and phenothiazine, on a series of organic compounds, using Density-Functional Theory (DFT) and Time-Dependent Becke–Half and Half–Lee–Yang–Parr's (TD-BHandHLYP)....

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