Engineering Commons^™

Plasmon-Mediated Energy Conversion In Metal Nanoparticle-Doped Hybrid Nanomaterials, Jeremy Dunklin

Graduate Theses and Dissertations

Climate change and population growth demand long-term solutions for clean water and energy. Plasmon-active nanomaterials offer a promising route towards improved energetics for efficient chemical separation and light harvesting schemes. Two material platforms featuring highly absorptive plasmonic gold nanoparticles (AuNPs) are advanced herein to maximize photon conversion into thermal or electronic energy. Optical extinction, attributable to diffraction-induced internal reflection, was enhanced up to 1.5-fold in three-dimensional polymer films containing AuNPs at interparticle separations approaching the resonant wavelength. Comprehensive methods developed to characterize heat dissipation following plasmonic absorption was extended beyond conventional optical and heat transfer descriptions, where good agreement was …

Infrared Energy Conversion In Plasmonic Fields At Two-Dimensional Semiconductors, Gregory Thomas Forcherio

Graduate Theses and Dissertations

Conversion of infrared energy within plasmonic fields at two-dimensional, semiconductive transition metal dichalcogenides (TMD) through plasmonic hot electron transport and nonlinear frequency mixing has important implications in next-generation optoelectronics. Drude-Lorentz theory and approximate discrete dipole (DDA) solutions to Maxwell’s equations guided metal nanoantenna design towards strong infrared localized surface plasmon resonance (LSPR). Excitation and damping dynamics of LSPR in heterostructures of noble metal nanoantennas and molybdenum- or tungsten-disulfide (MoS2; WS2) monolayers were examined by parallel synthesis of (i) DDA electrodynamic simulations and (ii) near-field electron energy loss (EELS) and far-field optical transmission UV-vis spectroscopic measurements. Susceptibility to second-order nonlinear frequency …

Computer Simulation Of Pore Migration Due To Temperature Gradients In Nuclear Oxide Fuel, Ian Wayne Vance

Graduate Theses and Dissertations

A phase-field simulation model is being presented that captures the thermal-gradient-driven migration of pores in oxide fuel associated with fuel restructuring. The model utilizes a Cahn-Hilliard equation supplemented with an advection term to describe the vapor transport of fuel material through the pore interior due to gradients in vapor pressure. In addition, the model also captures changes in a migrating pores’ morphology. Simulations demonstrate that the model successfully predicts pore migration towards the hottest portion of the fuel, the centerline. The simulations also demonstrate changes in pore shape that are in agreement with previous experimental observations. Initially isotropic pores are …

Investigation Of Fes2 Nanoparticles For Use In Optoelectronic And Thermoelectric Applications, Rick Tefal Eyi Nkoghe

Graduate Theses and Dissertations

Iron pyrite (FeS2) is the most abundant sulfide material on earth. This material has been widely investigated by researchers because of its optical properties. However, it has been difficult to produce High efficiency FeS2 based solar cells. This is due to many different impurities that arise when making the materials. The ability to synthesize pure pyrite FeS2 material is therefore critical for applications.

Pure Iron pyrite nanocrystals were synthesized using hot injection by mixing sulfur with an iron precursor in the presence of an amine. To improve the stability, shorter ligands replaced the native amines ligands. The stability of the …

Characterization Of Plastic Deformation Evolution In Single Crystal And Nanocrystalline Cu During Shock By Atomistic Simulations, Mehrdad Mirzaei Sichani

Graduate Theses and Dissertations

The objective of this dissertation is to characterize the evolution of plastic deformation mechanisms in single crystal and nanocrystalline Cu models during shock by atomistic simulations. Molecular dynamics (MD) simulations are performed for a range of particle velocities from 0.5 to 1.7 km/s and initial temperatures of 5, 300 and 600 K for single crystal models as well as particle velocities from 1.5 to 3.4 km/s for nanocrystalline models with grain diameters of 6, 11, 16 and 26 nm. For single crystal models, four different shock directions are selected, <100>, <110>, <111> and <321>, and dislocation density behind the shock wave …

Understanding The Intrinsic Electrochemistry Of Ni-Rich Layered Cathodes, Shawn W. Sallis

Graduate Dissertations and Theses

The demand for energy is continually increasing overtime and the key to meeting future demand in a sustainable way is with energy storage. Li-ion batteries employing layered transition metal oxide cathodes are one of the most technologically important energy storage technologies. However, current Li-ion batteries are unable to access their full theoretical capacity and suffer from performance limiting degradation over time partially originating from the cathode and partially from the interface with the electrolyte. Understanding the fundamental limitations of layered transition metal oxide cathodes requires a complete understanding of the surface and bulk of the materials in their most delithiated …