Exploring Nano-Scale Properties of Self-Assembled Monolayers: An Integrated Molecular Simulation and Scanning Probe Microscopy Study

University Of Washington, Seattle WA

Investigators

Abstract

ABSTRACT CTS-9983895 Shaoyi Jiang The proposed work focuses on exploring and controlling nano-scale chemical, structural and frictional properties of self-assembled monolayers (SAMs) using a unique combination of molecular simulation and scanning probe microscopy techniques. The technological, biological and environmental importance of SAMs cannot be overestimated. The first objective of the proposed work is to explore nano-scale frictional properties of SAMs. It consists of two components: (1) interpretation of scanning force microscopy (SFM) experiments on SAMs using molecular dynamics simulations, and (2) quantitative measurements of nano-scale forces in SFM. The ability to obtain quantitative data on frictional properties and to interpret SFM experimental result will facilitate the efforts to develop novel SAM-based lubricating systems for applications such as in car engines, microelectromechanical systems (MEMS) and magnetic data storage devices. The second objective of the proposed work is to control nano-scale chemical and structural properties of mixed SAMs. It consists of two components: (1) preparation and characterization of true molecular-scale mixed homogeneous phases of mixed SAMs, and (2) prediction of surface compositions and phase behavior of mixed SAMS using grand canonical ensemble Monte Carlo simulations. The ability to control nano-scale surface properties will facilitate the efforts to develop biomaterials with superior biocompatibilities. All four components in the proposed work are complementary and the proposed work is highly interdisciplinary. The success of the proposed work will have a broad impact on new technology such as molecule-based devices, corrosion protection, and biosensors in addition to nanotribology and biomaterials.