Spirofluorene based small molecules as an alternative to traditional non-fullerene acceptors for organic solar cells

Nowadays, world is moving from conventional energy sources to non-conventional energy sources like solar energy, wind power, hydropower and those energy sources which can be regenerate as they are consumes. The current share of solar energy in global energy production is substantially increasing due to its cheap source as compared to conventional sources. With the passage of time, scientist's developed large variety of solar cells but now demand for solar cells (SCs) is to develop new, cheap and more technologically advance low cost small molecule based organic solar cells with non-fullerene acceptors for mass production at industrial scale. Herein current research work, we designed four Spirofluorene based 3D configurated small molecules (M1–M4) and evaluated its different optoelectronic properties by using density functional theory (DFT) and time-dependent density functional theory (TD-DFT). After this theoretical study, we believes that this study would be beneficial in future investigations of donor–acceptor type materials for organic photovoltaic devices.