The structural, electronic, and optical properties of ladder-type polyheterofluorenes: a theoretical study.

The ladder-type polyheterofluorenes were investigated theoretically by using density functional theory (DFT) to reveal their optical and electronic properties for applications in organic optoelectronic devices. The incorporation of heteroatoms (B, Si, Ge, N, P, O, and S) into the ladder-type highly fused polyfluorene backbone can influence and modify the optoelectronic properties significantly. The functionalization on the heteroatoms allows for facile derivation and incorporation of substitutes to further tune the properties.