Modulating the Mechanical Properties of Pi-Conjugated Polymers With Hydrogen-Bonding Monomeric Units

Abstract:

Conducting polymers are usually comprised of highly crystalline, pi-conjugated materials that show extensive pi-stacking. This architecture is essential to the function of the material as an electron conductor: electrons are able to move along the backbone of the chain as well as hop between chains. However, the crystalline nature of these systems means that they are mechanically stiff. Wearable electronics, as those in implanted medical devices, require both efficient conductivity as well as mechanical flexibility. It has been shown that flexibility and elasticity in pi-conjugated polymers can be increased with the inclusion of H-bonding dopant units without destroying the favorable electronic properties. We therefore use molecular dynamics to model pi-conjugated polymers with variable amounts of the dopant units, studying the effect on the mechanical properties of such systems.