Research Synthesis and Characterization of 2D Conjugated Polymers

摘要

Use heterocyclic multidentate monomers specifically designed for this purpose by Density Functional Theory calculations. The main challenge in this design is the geometry of the monomer and the resulting oligomer (i.e., the most favorable all-trans geometry of a polythiophene chain on the Scheme should necessarily result in a continuous brick wall 2D structure). Furthermore, the design should eliminate any steric hindrances in the oligomers which would result in non-planar conformations.