Structural Dependence of Electronic Properties in A-A-D-A-A-Type Organic Solar Cell Material

Figure 1

Structure of the BCNDTS molecule. The interring torsional angles, and , are zero when C–C–C–C (numbered by 1, 2, 3, and 4) angles are in cis conformations shown. In the present computations, the methyl group replaces octyl chain.