Theoretical studies to investigate the effect of different cores and two different topologies on the optical and charge transfer properties of donor materials for organic solar cells

Abstract

Three dimensional conjugated three- and four-armed molecules with core-D–π–A and core-A–π–D topologies were designed and studied by DFT, revealing that molecules with the core-A–π–D topology and N or C cores would result low reorganization energies and broad absorption bands for organic solar cells.