Density functional theory design D-D-A type small molecule with 1.03eV narrow band gap: Effect of electron donor unit for organic photovoltaic solar cell

Abstract

Six new low-band-gap copolymers of donor–donor–acceptor (D-D-A) architecture have been designed using density functional theory and time-dependent density functional theory methods in order to use them in organic photovoltaic cell (OPVC). Phenanthro[3,4-d