Nanoscience and Nanotechnology Commons^™

Structure And Energetics Of Nanoparticles And Ionomer Films In Fuel Cell Catalyst Layers, Qianping He

Doctoral Dissertations

Improving the durability and utilization efficiency of the platinum-on-carbon (Pt/C) catalyst is of vital importance to the commercialization of the polymer electrolyte membrane fuel cell (PEMFC). This body of work provides molecular level insights to aid the fulfillment of this goal. Chapter 1 describes the use of molecular dynamics (MD) simulation in an effort to understand the Pt/C degradation issue from the nano-adhesion point of view. The roles of catalyst nanoparticle size, shape, Pt/C surface oxidation and the extent of ionomer film hydration are investigated to study their effects on nano-particle adhesion. It is found that the adhesion force strengthens …

Vibration And Buckling Of Carbon Nanotube, Graphene, And Nanowire, Mohammad Hadi Mahdavi

Electronic Thesis and Dissertation Repository

Nanostructured materials with superior physical properties hold promise for the development of novel nanodevices. Full potential applications of such advanced materials require accurate characterization of their physical properties, which in turn necessitates the development of computer-based simulations along with novel experimental techniques. Since controlled experiments are difficult for nanoscale materials and atomic studies are computationally expensive, continuum mechanics-based simulations of nanomaterials and nanostructures have become the focal points of computational nano-science and materials modelling.

In this study, emphasis is given to predicting the mechanical behaviour of carbon nanotube (CNT), graphene, nanowire (NW), and nanowire encapsulated in carbon nanotube (NW@CNT), which …

Orientation Controllable Epitaxial Vapor-Liquid-Solid Semiconductor Nanowire Synthesis On Silicon Substrate, Sung Hwan Chung

Open Access Dissertations

Semiconductor nanowires synthesized via the vapor-liquid-solid (VLS) mechanism have attracted extensive research interest in recent years owing to their unique structure as a promising candidate for the future electronic devices. Germanium and silicon nanowires, in particular, are compatible with the current silicon-based technology via direct assembly. However, one of the main challenges for the successful nanowire application in large-scale is the lack of the method for obtaining nanowires in desired positions and directions. Therefore, the comprehensive, systematic understanding of epitaxial nanowire growth and the more suitable method to align nanowires on novel structure are required. In this work, the synthesis …