Synergistically Improved Crystallinity and Molecular Doping Ability of Polythiophene-Diketopyrropyrrole Derivatives by m-Trifluoromethylbenzene Containing Side Chains for Improved Thermoelectric Materials

-Trifluoromethylbenzene (FB) groups have been widely employed in various fields; however, no studies have reported the use of FB in side chains to enhance the carrier mobility and molecular doping of conjugated polymers. In this study, based on density functional theory (DFT) calculations, we discovered that FB groups can effectively bind to [FeCl