Theoretical analysis on D-π-A triphenylamine-based dyes for dye-sensitized solar cells: effect of π-bridges on the optoelectronic, and photovoltaic properties.

Context: The dye-sensitized solar cell is a technology unique in its light conversion properties as it operates with record efficiencies in diffused light conditions. The choice of the appropriate sensitizer is one of the important strategies to improve photovoltaic performance of DSSC devices. This theoretical study mainly aims to determine the impact of the π-spacer on the geometric and optoelectronic parameters of sensitizer dyes.

Computational study of the effect of π-spacers on the optoelectronic properties of carbazole-based organic dyes.

In this article, we studied a series of dye-sensitized solar cells (DSSCs) type Donor-π-Acceptor involving carbazole as donors and cyanoacrylic acid as acceptors of the electrons. These cells are linked by different π-spacer unit's, with the aim to develop new organic dyes with high-performance optoelectronic properties. Different units have been introduced in the π-bridge in order to investigate their effects on the structural and optoelectronic properties of the studied compounds, as well as their adsorbed compounds-titanium dioxide (TiO) semi-conductor.