Systematic Theory-Guided Nano-Engineering of Desired Order and Viscoelasticity in Electroactive Dendrimers and Polymers

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TECHNICAL SUMMARY: Multi-scale theoretical (time-dependent density functional theory and coarse-grained Monte Carlo-molecular dynamics) methods are being developed and will used to guide the development of new macromolecular (polymer and dendrimer) electroactive materials with particular focus on electro-optic materials critical for chipscale integration of electronics and photonics. Theory-guided design will permit control of both molecular architecture (molecular order and lattice dimensionality) and dynamics (viscoelasticity and phase transitions). New experimental methods are being developed to characterize order, lattice dimensionality, and viscoelasticity. Newly synthesized and characterized organic electro-optic materials will be integrated with silicon photonic, plasmonic, and metamaterial devices relevant to telecommunications, computing, and sensing technologies. Collaboration with the Air Force Research Laboratory, industry (Boeing, Intel, and other companies), and with international researchers (Germany, Switzerland, Belgium) will be pursued. Workforce development and promotion of workforce diversity will be pursued through continued interactions with minority serving institutions including HBCUs (e.g., Norfolk State University), Hispanic and Native American institutions. Undergraduate and high school student participation in research will also be facilitated. The potential broader economic impacts of science will be emphasized by working with the UW Center for Innovation and Technology Entrepreneurship.NON-TECHNICAL SUMMARY: Properties of electroactive (e.g., photovoltaic, electronic, electro-optic) materials depend on the organization of component atoms, ions, or molecules. The utilization of soft matter materials has been inhibited by lack of theory-guided design to achieve the desired order and performance properties. New theoretical methods will be developed that will permit such rational design leading to new electro-optic materials and permitting the fabrication of compact information technology devices exhibiting ultrahigh-speed and low power-consumption data processing. Such technology is important to chipscale integration of electronics and photonics, and in turn to next-generation computing, telecommunications, and sensing technologies. The anticipated outcome of this basic research program should be of potential interest to industry. Workforce development and enhancement of workforce diversity will be pursued through a variety of mechanisms including continued interaction with HBCUs (e.g., Norfolk State University), Hispanic, and Native American institutions, and through facilitation of the participation of undergraduate and high school students in research. Broader impact will also be achieved through the University of Washington Center for Innovation and Technology Entrepreneurship.