Physical Sciences and Mathematics Commons^™

Electrical Characterization Of Microcrystalline Lifepo4 For Application In Lithium Ion Batteries, Sukhdeep Amarjeet Labana

Open Access Theses & Dissertations

Electrical Characterization of Microcrystalline LiFePO4 for application in lithium ion batteries. Mainly, to study about the electrical properties of Lithium Iron Phosphate as a cathode material to increase its Electrical consumption.

Synthesis And Characterization Of Novel Pyridyl Silver (I) Lipid Complexes, Luis J. Andujo

Open Access Theses & Dissertations

Cationic surfactants are being used in many applications in industrial manufacture and medical technologies. Pyridinium salts come under the category of cationic surfactants. Surfactants have two distinct regions in their chemical structure, one of which is water-linking or hydrophilic and the other of which water-avoiding or hydrophobic. These molecules are referred to as amphiphilic or amiphipathic molecules or simply as surfactants or surface active agents. Depending on their charge the characteristics of the surface-active molecules may be anionic, cationic, zwitterionic (ampholytic) or non-ionic. These surfactants are used less for their wetting abilities than for their pronounced germicidal properties and their …

Metal Catalyzed Activation Of E-H Bonds, E = Si, Ge, Sn, Renzo Nelson Arias Ugarte

Open Access Theses & Dissertations

The present project covers the use of complexes of the type: (C5H5)M(CO)nLMe, (M = Fe, n = 1; L = CO, Ph3P; M = Mo, n = 2; L = CO, Ph3P); M(CO)6, (M = Cr, Mo, W) and M(CO)5NMe3 as catalysts for the activation of E-H bonds (E = Si, Ge and Sn). The work is divided in three sections; the first two involves dehydrogenation and the last one amide reduction.

Microscopic And Spectroscopic Analysis Of Wo3 And Ti-Doped Wo3 Thin Films, Young Taek Yun

Open Access Theses & Dissertations

Tungsten oxide (WO3) has been a subject of high interest for its unique properties, and recently for its importance in different types of industrial applications which ranges from non-emissive displays, optical, microelectronic, catalytic/photocatalytic, humidity, temperature, gas, and biosensor devices. In this study, WO3 and Ti doped thin films were prepared using radio frequency magnetron reactive sputtering at different substrate temperatures ranging from room temperature to 500 ºC in increments of 100 ºC. After forming a hypothesis based on knowledge of established WO3 properties, we attempt in this work to investigate how the doping influences the roughness and the mean grain …

Applications Of Density Functional Theory In Materials Science And Engineering, Manuel Alvarado

Open Access Theses & Dissertations

Density Functional Theory (DFT) is a powerful tool that can be used to model various systems in materials science. Our research applies DFT to two problems of interest. First, an organic/inorganic complex dye system known as a Mayan pigment is modeled to determine chemical binding sites, verifying each model with physical data such as UV/Vis spectra. Preliminary studies on palygorskite-based mayan pigments (mayacrom blue, mayacrom purple) show excellent agreement with experimental studies when using a dimer dye geometry binding with tetrahedrally-coordinated aluminum impurity sites in palygorksite. This approach is applied to a sepiolite-based organic/inorganic dye system using thioindigo attached to …

Dna-Carbon Nanotubes Composites As Gene Sensors, Hugo Alarcon

Open Access Theses & Dissertations

Carbon fullerenes are unusually structured molecules with robust mechanical and electronic properties. Their versatility is astounding; envisioned applications range from field emission displays to impregnated metal composites, battery storage media, and nanoelectronic devices. The combination of simple constituency, diverse behavior, and ease of fabrication makes these materials a cornerstone topic in current research.

This work describes experiments conducted on nanotubes using Dynamic light scattering (DLS). The aim is to detect cluster formation from individual carbon nanotube (CNT) solutions using a nanotube DNA binding sequence and a secondary recognizing complementary DNA sequence to bind neighboring CNTs. Dynamic Light Scattering is an …

Organic Photovoltaics: A Charge Transfer Perspective In The Study Of Donor-Acceptor Pairs, Marco Olguin

Open Access Theses & Dissertations

The present research involves the study of donor-acceptor (D/A) dyad complexes from a charge transfer energy perspective. The aim is to provide insight and predictive understanding into the charge transfer processes of the molecular-level components in donor-acceptor based organic solar cells using computational methods to describe photochemical processes at the quantum mechanical level within the Density Functional Theory (DFT) approximation. Predictive understanding is anchored in reproducing experimental results, wherein the present work a perturbative excited-state DFT method is described in detail and shown to give CT energies in excellent agreement with benchmark experimental data. With an accurate excited state method …