(576e) The Consequence of Morphology on Conductivity for Bolaamphiphiles

Polyelectrolytes have gained popularity as potential candidates for rechargeable batteries, membrane fuel cells, and drug delivery carriers. Here we consider ionic-electronic conductors in rod-coil block copolymers and bolaamphiphiles as a possible next step in the development of these class of materials. These proposed materials decouple electrical conductivity, ionic conductivity, and mechanical properties through the use of distinct but complementary functionalities. Mixing ionically and electronically conducting materials takes advantage of ionic movement combined and electronic transport while the presence of a stiff polymer backbone provides mechanical stability. However, the combination of flexible and rigid moieties also leads to complex phase behavior which presents significant challenges to molecular modeling. Using a combination of mesoscopic and atomistic models, we investigate the effect of composition and placement of charged and non-charged functionalities on the conductivity of the materials. We thus elucidate how changes in morphology correlate with changes in conductive properties. The ultimate goal is to unveil basic principles for the development and optimization of these class of materials.