Photoinduced charge transfer and separation processes have attracted great interests because of their fundamental role in applications such as solar cells and artificial photosynthetic systems. By gaining the knowledge from the natural photosynthetic process large variety of donor acceptor arrays have been developed. In this presentation, results using the B3LYP and TD-B3LYP calculations to design and characterize various triphenylamine (TPA) derivatives which can be effectively used in solar cells will be presented.In addition, calculated results of two donor-acceptor dyad composites which have interesting photophysical properties and show better candidates as sensitizers in dye sensitized solar cells will be discussed. All the above mentioned systems will be compared with the experimental data

Computational investigation of substitution effect on the triphenylamine (TPA) dye sensitizer

247th National Meeting (2014)

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