Optical properties of recent non-fullerene molecular acceptors for bulk heterojunction solar cells

For many years the faith of organic photovoltaics has been linked to the one of fullerene, since fullerene has been considered the electron-acceptor of choice in bulk heterojunctions solar cells. In the last years, the number of molecules that can be very competitive in replacing fullerene has increased significantly. In this work, we study by means of different theoretical methods five molecules that have demonstrated to work effectively as acceptors in organic heterojunctions. We discuss the comparison of simulated absorption spectra with the experimental spectra.