Physical Sciences and Mathematics Commons^™

Hierarchy Of Supramolecular Synthons In The Of Design Multi-Component Crystals, Padmini Kavuru

USF Tampa Graduate Theses and Dissertations

Most of the biological systems in nature are sustained by molecular self-assemblies which are the finest examples of supramolecular architectures. Non-covalent interactions are key concepts which govern these molecular assemblies. Inspired by these examples crystal engineering emerged as an important tool in supramolecular chemistry which aids in the invention of new molecular structures with desired properties. Understanding of how the molecules interact at the molecular levels enables one to rationally design novel solid forms with modulated physicochemical properties. This feature of crystal engineering has heightened its position in materials chemistry and is currently one of the most well studied fields …

Functional Magnetic Nanoparticles, James Gass

USF Tampa Graduate Theses and Dissertations

Nanoparticle system research and characterization is the focal point of this research and dissertation. In the research presented here, magnetite, cobalt, and ferrite nanoparticle systems have been explored in regard to their magnetocaloric effect (MCE) properties, as well as for use in polymer composites. Both areas of study have potential applications across a wide variety of interdisciplinary fields.

Magnetite nanoparticles have been successfully dispersed in a polymer. The surface chemistry of the magnetic nanoparticle proves critical to obtaining a homogenous and well separated high density dispersion in PMMA. Theoretical studies found in the literature have indicated that surface interface energy …

Theory And Modeling Of Graphene And Single Molecule Devices, Lyudmyla Adamska

USF Tampa Graduate Theses and Dissertations

This dissertation research is focused on first principles studies of graphene and single organic molecules for nanoelectronics applications. These nanosized objects attracted considerable interest from the scientific community due to their promise to serve as building blocks of nanoelectronic devices with low power consumption, high stability, rich functionality, scalability, and unique potentials for device integration. Both graphene electronics and molecular electronics pursue the same goal by using two different approaches: top-down approach for graphene devices scaling to smaller and smaller dimensions, and bottom-up approach for single molecule devices. One of the goals of this PhD research is to apply first-principles …

Encapsulation Of High Temperature Phase Change Materials For Thermal Energy Storage, Rupa Nath

USF Tampa Graduate Theses and Dissertations

Thermal energy storage is a major contributor to bridge the gap between energy demand (consumption) and energy production (supply) by concentrating solar power. The utilization of high latent heat storage capability of phase change materials is one of the keys to an efficient way to store thermal energy. However, some of the limitations of the existing technology are the high volumetric expansion and low thermal conductivity of phase change materials (PCMs), low energy density, low operation temperatures and high cost. The present work deals with encapsulated PCM system, which operates at temperatures above 500°C and takes advantage of the heat …

Crack Analysis In Silicon Solar Cells, Maria Ines Echeverria Molina

USF Tampa Graduate Theses and Dissertations

Solar cell business has been very critical and challenging since more efficient and low costs materials are required to decrease the costs and to increase the production yield for the amount of electrical energy converted from the Sun's energy. The silicon-based solar cell has proven to be the most efficient and cost-effective photovoltaic industrial device. However, the production cost of the solar cell increases due to the presence of cracks (internal as well as external) in the silicon wafer. The cracks of the wafer are monitored while fabricating the solar cell but the present monitoring techniques are not sufficient when …

Development Of Interatomic Potentials For Large Scale Molecular Dynamics Simulations Of Carbon Materials Under Extreme Conditions, Romain Perriot

USF Tampa Graduate Theses and Dissertations

The goal of this PhD research project is to devise a robust interatomic potential for large scale molecular dynamics simulations of carbon materials under extreme conditions. This screened-environment dependent reactive empirical bond order potential (SED-REBO) is specifically designed to describe carbon materials under extreme compressive or tensile stresses. Based on the original REBO potential by Brenner and co workers, SED-REBO includes reparametrized pairwise interaction terms and a new screening term, which serves the role of a variable cutoff. The SED-REBO potential overcomes the deficiencies found with the most commonly used interatomic potentials for carbon: the appearance of artificial forces due …

Growth And Characterization Of Functional Nanoparticulate Films By A Microwave Plasma-Assisted Spray Deposition Process, Ted Wangensteen

USF Tampa Graduate Theses and Dissertations

Nanoparticle and nanoparticulate films have been grown by a unique approach combining a microwave and nebulized droplets where the concentration and thus the resulting particle size can be controlled. The goal of such a scalable approach was to achieve it with the least number of steps, and without using expensive high purity chemicals or the precautions necessary to work with such chemicals. This approach was developed as a result of first using a laser unsuccessfully to achieve the desired films and particles. Some problems with the laser approach for growing desired films were solved by substituting the higher energy microwave …