The target materials and devices offer the potential to address and improve needs ranging from the harvesting and storage of energy to sensing and detection with their resulting societal benefits. A key aspect of these studies is the combination in a single system of both major types of conductivity (ionic and electronic conduction) to create new, effective materials. Students from Cornell University, the University of Chicago and the University of Washington working together in this research will be provided with a stimulating and constructive environment in which they are exposed to key elements of a comprehensive materials design cycle comprising theory and computation, synthesis, assembly and characterization. The focus of the project also provides a unique context and an opportunity to convey the importance of science and engineering to students in succinctly simple, yet powerful messages. The materials design and pattern recognition software and the user manuals developed under this activity, will be made freely available through a dedicated project web site, and through co-PI Escobedo's web site.
This research entails the following: (i) modeling of the self-assembly behavior of conjugated rod-charged coil block copolymers and bolaamphiphiles, (ii) design and synthesis of rod-coil polymers with controlled architecture and behavior, (iii) their assembly and characterization for charge transport, and (iv) assessing the performance of prototype devices. To enable synergistic modeling-experimental interactions, the research will involve the iteration of two cycles. The first cycle entails the use of model-based morphological predictions to guide the selection of new polymers for synthesis and processing. The second cycle entails characterization of conductivity and construction of device prototypes, providing data that will guide the development of new models. The computational activities are then a combination of mesoscopic and atomistic modeling. The research is envisioned to not only shed light into fundamental physical questions, but also lead to new applications through a combination of modeling and experiments that will allow exquisitely precise manipulation of characteristic dimensions, chemistry, and charge density.
