Electronic Transitions and Photovoltaic Properties of New Compounds as Organic Dye Sensitizers for Solar Cell

This work deals with electronic and photovoltaic properties of new compounds as organic dye sensitized for solar cell. The ground state calculations are carried out by employing the B3LYP-DFT method and the TD-DFT for excitation properties at the Gaussian 09 package of programs. The results showed the HOMO and LUMO are slightly different and this suggests that different structures play significant roles on electronic properties and improving the electron accepting ability. The obtained values of energy gap and the open circuit voltage are the parameters manipulating to improving the quality of solar cell devices. Also, the results show these compounds can be used as organic sensitizers for solar cell due to possibility of the electron injection process from the compounds to the conduction band of TiO2.