SGER: Nanoparticle and Nanoparticle Self-Assembly on a Stepped Surface

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AbstractCTS-0429131J.- C. Wang, University of Missouri-RollaThis is an exploratory research with the objectives to (1) understand the behavior of surfactant-capped nanoparticles and nanoparticle chain arrays on a stepped solid surface and (2) study the feasibility of using stepped surfaces as templates to induce controlled growth of nanoparticle chain arrays. Nanometer-sized particles possess extraordinary properties that cannot be found in either isolated molecules or bulk materials. To fully realize their technological potential, nanoparticles must be fabricated into predesigned structures or multidimensional ordered arrays. Surfactant-capped nanoparticles have the capability of self-assembling into ordered structures on solid surfaces. However, current fabrication avenues of surfactant-capped nanoparticles have only produced partially satisfactory results. We propose that it is feasible to develop an improved nanofabrication avenue based on the use of nanoparticle chain arrays as building units. We will perform molecular dynamics simulations with atomic-scale models for nanocrystals, surfactants, solvent, and solid surfaces to assess the feasibility.Intellectual merit: Existing evidences suggest that the information about the equilibriumsuperlattices and self-assembling of nanoparticles is encoded in the molecular components of the system. However, only a very limited number of simulation studies have focused on surfactant-capped nanoparticles. This exploratory research performs molecular dynamics simulations to provide fundamental insights that are still lacking but important to the development of improved nanofabrication methods.Broader impacts: The broader impacts are two-fold. Technologically, many aspects of the behavior of nanoparticles and nanoparticle self-assembly are still unknown. This research will enhance our understanding by exploring some aspects of important relevance. It will also be able to assist the development of new nanoparticle fabrication avenues for producing predesigned nanoparticle structures and higher-dimensional superlattices that meet technological needs. Educationally, one PhD student and one undergraduate student will be directly involved in this research and get an education in this emerging field. The thesis and results of this research will also be incorporated in the PI's courses. The proposed research will thus impact these students on their opportunities in nanoscience and nanotechnology.