Elucidating Structural Effects of Conjugated Polymers on Charge Transport and Durability for Organic Electronics and Development of Stretchable Semiconducting Materials

Abstract

Understanding structure-property relationships of π-conjugated polymers is key to the development of functional materials for organic electronics. Molecular structure and polymer chain order strongly influence the electrical and mechanical performance of materials. First described is the theoretical and experimental quantification of polaron sizes in polythiophene polymers. Intramolecular and intermolecular charge delocalization length were studied to elucidate prior research relating polymer structure and packing morphology to electrical performance. Polythiophenes were also studied through the analysis of previously reported molecular dynamic simulations. Comparison of these models to experimental neutron scattering experiments revealed the requirement for updated parameters to accurately simulate polymer behavior. Polythiophenes are further described for the development of stretchable electronic materials. Improved compatibility in an elastomer/π-conjugated polymer composite was achieved by the introduction of bromide functional groups. Functionalization led to altered intermolecular interactions and reactive covalent bonding which enhanced mechanical performance.