Engineering Commons^™

Modeling The Peak Absorption Of Meh-Ppv In Various Solvents Using Density Functional Theory, Corell H. Moore

Theses and Dissertations

Density Functional Theory (DFT) and time-dependent Density Functional Theory (TD-DFT) are powerful tools for modeling orbital energy in conjugated molecules and have been useful tools for research in organic photovoltaics. In this work, DFT is first used to explain the red shift in the absorption spectrum and increased absorption observed in MEH-PPV. Initially, the modeling of the red-shift in the absorption peak of MEH-PPV is studied using Gaussian 03 software with the global hybrid functional B3LYP for exchange-correlation and the 6-31G basis set. DFT and TD-DFT are used to separately study the effects of polymer chain length, carbon-carbon double-bond stretching, …

Au@Tio2 Nanocomposites Synthesized By X-Ray Radiolysis As Potential Radiosensitizers, Maria C. Molina Higgins

Theses and Dissertations

Radiosensitization is a novel targeted therapy strategy where chemical compounds are being explored to enhance the sensitivity of the tissue to the effects of ionizing radiation. Among the different radiosensitizers alternatives, nanomaterials have shown promising results by enhancing tumor injury through the production of free radicals and reactive oxygen species (ROS). In this work, Gold-supported titania (Au@TiO₂) nanocomposites were synthesized through an innovative strategy using X-ray irradiation, and their potential as radiosensitizers was investigated. Radiosensitization of Au@TiO₂ nanocomposites was assessed by monitoring the decomposition of Methylene Blue (MB) under X-ray irradiation in the presence of the nanomaterial. …

Engineering Magnetic Properties Of Nanoparticles For Biomedical Applications And Magnetic Thin Film Composite Heterostructures For Device Applications., Shivakumar Hunagund

Theses and Dissertations

The motivation of this study is to investigate the size dependent properties of Gadolinium silicide nanoparticles and their potential applications in Biomedicine. We use two approaches in our investigation - size dependence and possible exchange interaction in a core-shell structure. Past results showed Gd₅Si₄ NPs exhibit significantly reduced echo time compared to superparamagnetic iron oxide nanoparticles (SPION) when measured in a 7 T magnetic resonance imaging (MRI) system. This indicates potential use of Gd₅Si₄ ferromagnetic nanoparticles as T2 contrast agents for MRI.

Until recently most contrast agents (CA) that are used in Magnetic Resonance …

Metallic Systems At The Nano And Micro Scale: Bimetallic Nanoparticles As Catalysts And Mcraly Bond Coats In Thermal Barrier Coatings, Kenneth Kane

Theses and Dissertations

The dissertation is split into two parts. The first part will be focused on changes in material properties found at the nanoscale, as miscibility and electronic structure can change significantly with size. The formation of classically-immiscible bimetallic nanoparticles (BNPs) becomes favorable at the nanoscale and novel catalytic properties can emerge from the bimetallic alloying. The formation of alloyed and non-alloyed BNPs is achieved through pulse laser ablation (PLA) and a significant increase in catalytic activity is observed for both. Recently discovered, the increased activity in the non-alloyed BNPs, deemed multicomponent photocatalysis, is examined and the proposed mechanism discussed. The second …

Compositional Analysis Of Cerium And Cesium In Rapid Setting Cement As An Immobilization Agent For Nuclear Waste, Riyadh M. Motny

Theses and Dissertations

A feasibility of rapid setting cement (RSC) as an agent of immobilization for certain elements such as fission products or radioactive materials was explored. Cerium (Ce) and cesium (Cs) have been selected as a surrogate for U and/or Pu and fission products, respectively, in this study in three phases. In Phase I, RSC was evaluated for physical properties (e.g., porosity, density, pH values, etc.) using two groups methods—the cement powder at different concentrations of Ce (2 – 10 wt%) with deionized water (DIW) and artificial seawater (ASW). The results showed that the final setting time and compressive strength of RSC …