In this review, the introduction of solar cells is presented. Old and new generation solar cells
are briefly described. Quantum dot solar cells (QDSCs), perovskite solar cells, and dye …

Eight novel metal-free organic sensitizers were proposed for dye-sensitized solar cells
(DSSCs), theoretically calculated and studied via density functional theory with D-π-A …

In this work, 27 new quinoline-derivative dyes were proposed, and their geometries,
electronic structures, and absorption spectra were investigated using density functional …

We have computationally designed and characterized a series of new organic D− π− A
architected dyes that have originated from cyanidin, which is vastly available in nature, for …

We report the theoretical modeling of various azo‐bridged coumarin‐purpurin systems. The
effect of varying the donor (coumarin) part of this D‐π‐D‐π‐A system was analyzed in terms …

This work presents theoretical modeling of some systems, using density functional theory
(DFT), for enhancing the photoresponse of a dye‐sensitized solar cell. The optimization of …

In this research article, we have designed triphenylamine (TPA) dyes with DA-π-A structure
and their electro-optical and charge injection properties have been calculated. The …

We report density functional theory (DFT) calculations of three newly synthesized
oligomethine cyanine-based dyes as potential TiO2-sensitizers in dye-sensitized solar cells …

The possibility of dye charge recombination in DSSCs remains a challenge for the field. This
consists of:(a) back‐transfer from the TiO2 to the oxidized dye and (b) intermolecular …

This study reports first principles investigations on effects of polar solvents acetonitrile,
acetone, water, ethanol, and methanol on the structural, electronic, and optical properties of …