Real-time, time-dependent density functional theory and pseudo-atomistic Monte Carlo/molecular dynamics calculations will be used to guide the design of the molecular and supermolecular (nano/mesoscale) structure of new polymeric and dendritic materials for the realization of transformative electroactive (nonlinear optical, optoelectronic, and electronic) properties. New experimental techniques will be developed and used to verify theoretical prediction of properties. New processing methodologies such as laser-assisted electric field poling and the use of charge-controlling interfacial layers between disparate materials will be investigated. Materials developed will be integrated with silicon photonics and other emerging technologies to demonstrate technological gains and to stimulate knowledge and technology transfer to industry. The resultant theory-guided protocol will implemented through material synthesis, characterization, processing, and prototype device fabrication and evaluation. Anticipated outcomes include a dramatically improved understanding of soft matter and nanoscale engineering together with improved technological performance of materials related to applications such as chipscale integration of electronics and photonics. The fundamental and applied nature of the research is of great interest to students and strong collaborations have been developed with minority serving institutions as well as undergraduate/graduate programs at the University of Washington.
NON-TECHNICAL SUMMARY: The objective of this research is development of a systematic approach for the transformative improvement of the properties of soft matter (e.g., organic) nonlinear optical, optoelectronic, and electronic materials based on integration of state-of-the-art quantum (molecular scale) and statistical (nano/meso/macroscopic scale) mechanical theoretical guidance. Preliminary research has demonstrated that an understanding of the direction-dependent interaction among complex molecular components can be used to achieve an exponential (Moore?s Law) improvement in properties such as electro-optic activity (the ability to interconvert electrical and optical information as in downloading information from a computer to the Internet). Potential technological impacts include enabling chipscale integration of electronic and photonic (optical) information technologies, photovoltaic devices with significantly improved efficiencies, and a new generation of sensor technologies. The organization structure of this effort is a small group of researchers with interdisciplinary expertise that coordinates, in an end-to-end manner, theoretical design, material synthesis, material characterization, material processing, and device fabrication. This research and development environment has proven attractive to students and to industry. Strong interactions with minority serving institutions and with industry have been developed yielding new products and workforce development.
Electro-optics deals with the interconversion of electronic (e.g., computer output) and photonic (e.g., internet and phone data transmission) information. As such, such electro-optic materials are critical to information technology including telecommunications, computing, and sensing. Organic electro-optic materials are members of the broader class of organic electroactive materials, which are relevant to photovoltaics (solar cell technology), light emitting device (LED), among other applications. The performance of all organic electroactive materials is defined by the structure and dynamics of materials, which are in turn defined by intermolecular electrostatic interactions. New theoretical (computer simulation) methods have been developed to guide the engineering of improved electroactive materials. Theory-guided design of new organic materials has led to significantly improved performance. Organic electro-optic materials with improved properties have been integrated into state-of-the-art silicon photonic devices leading to record bandwidth, engery efficiency, and size pefromance in the area of information technology. The research accomplishments are revelant to the chipscale integration of electronics and photonics (relevant to computers, cell phones, etc.) and to new sensor technologies such as phased-array radar for manned and unmanned aircraft. Interaction with Norfolk State University has assisted that university with devlopment of their first Ph.D. program in science and engineering and development of a number of research and education programs.
