Fundamental principles of non-linear single molecular devices as building blocks for future computing technologies

University Of South Florida, Tampa FL

Investigators

Abstract

Fundamental principles of non-linear single molecular devices as building blocks for future computing technologies This SGER proposal aims at exploring theoretical foundations for new types of nanoelectronic single molecular devices. The major driving force for this effort is the realization of unique electronic properties of single organic molecules that can be exploited to implement novel elements of electronic circuitry to be used as an alternative for traditional, silicon based CMOS technology. The main goal of this proposal is to develop computational tools and apply them to perform device modeling and intelligent design of molecular architectures based on firstprinciples understanding of electron transport. A series of unique molecules that exhibit specific electronic functions such as molecular diodes, transistors and switches will be explored. Charge transport through single molecules and molecular arrays will be investigated. The fundamental understanding of electrical characteristics of such molecular building blocks will be used to explore the intelligent design of molecular architectures. Simulation and prediction of electrical behavior of molecular nanoelectronic components based on their atomic and electronic properties will be ultimately extended to achieve the virtual integrated prototyping of molecular devices optimization of current-voltage characteristics of specific electronic devices by choosing the most appropriate chemical composition that has desirable electronic properties. The proposed research program addresses the goal of NSF EMT program to explore new capabilities for future computing technologies, thus allowing to extend the lifespan of Moore's law beyond the lifetime of silicon technology. Broader Impact. The broader impact of this SGER effort will be achieved by educating science and engineering graduates who will be the main driving force for future advances in future computing technologies. Students involved in this project will learn a broad range of knowledge in molecular engineering and first-principles device modeling. This project will serve to attract brilliant minds, to train and promote young talented students with the aim to reinforce the science and engineering workforce. In addition to educational activities, this synergistic effort in theory/simulation will advance our understanding the fundamental mechanisms of electron transport in molecular nanostructures and to establish predictive structure-property relationships between molecular structure and electrical device characteristics. This knowledge base is important for practical implementation of the next generation of computing hardware based on molecular components aimed at achieving lightweight, flexible circuits with low energy consumption and high density information storage.