Derivative of PBDTTT-EFT Organic Molecular Solid as a good donor Material towards a High Efficiency OSC

Abstract Organic molecular solids are less expensive alternative to their inorganic counterparts as they can have extremely high optical absorption coefficients which offers the possibility of the enhancement of the quantum efficiency of photovoltaic process. To find out a suitable organic molecular solid exhibiting the photovoltaic effect will, therefore, be a significant contribution in developing high efficiency Organic Solar Cell (OSC). PBDTTT-EFT known chemically as Poly[4,8-bis(5-(2-ethylhexyl)thiophen-2-yl)benzo[1,2-b;4,5-b']dithiophene-2,6-diyl-alt-(4-(2-ethylhexyl)-3-fluorothieno[3,4-b]thiophene-)-2-carboxylate-2-6-diyl)], is a reported organic molecular solid. An attempt has been made through molecular design to find out the possibility of enhancing its capability as an electron donor material to be used efficiently with combination of suitable acceptor organic materials for developing high performance organic photovoltaic devices. In the present study, the derivative of PBDTTT-EFT derived from the chain elongation n =1, 2 named as monomer and dimmer, have been taken up for the investigation of various optoelectronic properties by using the Koopmans Method and Density Functional Theory, executed in Schrodinger Software and depicted in the findings. The present study suggests the utility of the dimmer as a suitable donor material for developing a high efficiency Organic Solar Cell (OSC).