SGER: Exploring monomolecular architecture for an organic transistor

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Intellectual merit-The proposed work will explore an innovative mono molecular architecture for a three terminal organic transistor in which the gate electrode will be separated from the channel by an organic molecular throttle unlike the insulating oxide layer generally used in a conventional transistor design. First principles density functional theory together with the nonequilibrium Green's function approach, which has been successful in explaining the experimental measurements and proved to have predictive capability, will be used to understand the controlled electron transport in this device for assessing its potential application. The role of molecular conformation, length of throttle, electronic structure, and chemical nature of interfacial (i.e., molecule-metal) bonding will be studied systematically to optimize the design of the three terminal devices for a significant current modulation (gain) with the application of a local electrostatic gate field. The results obtained from this project, which is expected to venture into an emerging research idea in advanced molecular computing, will eventually guide the future theoretical and experimental endeavors leading to a successful realization of such a device.Broader impact- This project is expected to: Identify a novel monomolecular architecture for a three terminal organic transistor for potential applications in molecular computing far beyond the technology roadmap for the year 2015. Identify the organic building blocks and establish the physical mechanism for the underlying operational principle in such a device. Stimulate multi-disciplinary research efforts and collaborations. Train graduate students in getting first hand experience in designing novel nanoelectronics devices. Provide avenues to integrate education with research, outreach to include participation of students from under represented groups, and broad dissemination of results.Since the proposed project is expected to venture into an emerging research idea in advanced molecular computing, which will eventually guide the future theoretical and experimental endeavors leading to a successful realization of such a device, it satisfies one of the important criteria for SGER grant application.Relevant topics-organic molecular electronics, theory and modeling.