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Application of Novel Microporous Polyolefin Silica-Based Substrate in Paper Spray Mass Spectrometry (PS-MS)

Description: This study addressed five key applications of paper spray mass spectrometry (PS-MS): (i) comparative analysis of the microporous substrate with the cellulose-based substrate in drug detection; (ii) detection of more than 190 fentanyl analogs with their fragmentation pattern can be implemented in the future reference for quicker, accurate and sensitive determination; (iii) exploring sweat in a fingerprint to be considered an alternate method to recognize non-invasive markers of metabolites, lip… more
Date: December 2020
Creator: Weligamage De Silva, Imesha
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
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Computational Study of Intermolecular Interactions in Complex Chemical Systems

Description: This work discusses applications of computational simulations to a wide variety of chemical systems, to investigate intermolecular interactions to develop force field parameters and gain new insights into chemical reactivity and structure stability. First, we cover the characterization of hydrogen-bonding interactions in pyrazine tetracarboxamide complexes employing quantum topological analyses. Second we describe the use of quantum mechanical energy decomposition analysis (EDA) and non-covalen… more
Date: May 2020
Creator: Vazquez Montelongo, Erik Antonio
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
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Atomic Layer Deposition of H-BN(0001) on Transition Metal Substrates, and In Situ XPS Study of Carbonate Removal from Lithium Garnet Surfaces

Description: The direct epitaxial growth of multilayer BN by atomic layer deposition is of critical significance forfo two-dimensional device applications. X-ray photoelectron spectroscopy (XPS) and low energy electron diffraction (LEED) demonstrate layer-by-layer BN epitaxy on two different substrates. One substrate was a monolayer of RuO2(110) formed on a Ru(0001) substrate, the other was an atomically clean Ni(111) single crystal. Growth was accomplished atomic layer deposition (ALD) cycles of BCl3/NH… more
Date: May 2020
Creator: Jones, Jessica C.
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
open access

Donor-Acceptor Systems: Photochemistry and Energy Harvesting Applications

Description: Donor-acceptor systems have unique properties that make them ideal candidates for solar energy harvesting through mimicry of natural photosynthesis. This dissertation is focused on unraveling those unique properties in various types of donor-acceptor systems. The systems investigated are categorized as closely linked, push-pull, supramolecular, and multi-unit. As part of the study, photosynthetic analogues based on BF2-chelated dipyrromethene (BODIPY), porphyrin, phthalocyanine, truxene, ferroc… more
Date: May 2020
Creator: Thomas, Michael Brandon
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
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Atomic Layer Deposition of Boron Oxide and Boron Nitride for Ultrashallow Doping and Capping Applications

Description: The deposition of boron oxide (B₂O₃) films on silicon substrates is of significant interest in microelectronics for ultrashallow doping applications. However, thickness control and conformality of such films has been an issue in high aspect ratio 3D structures which have long replaced traditional planar transistor architectures. B₂O₃ films are also unstable in atmosphere, requiring a suitable capping barrier for passivation. The growth of continuous, stoichiometric B₂O₃ and boron nitride (BN) f… more
Date: December 2020
Creator: Pilli, Aparna
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries

Photophysical Properties of Binuclear and Trinuclear Monovalent Coinage Metal Complexes for Applications in Molecular Devices

Description: Monovalent coinage metal complexes have been of significant interest due to their rich photophysical properties. This dissertation focuses on the design, synthesis, and characterization of gold, silver, and copper phosphors. Chapter 2 investigates new physical and photophysical properties of a gold diphosphine dimer in the solid state. Thermally activated luminescence switching between two structural states is discussed. Chapter 3 includes the photochemistry of closed shell group 11 transitio… more
Date: May 2020
Creator: Harris, Lauren Michelle
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
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Study the pKa of C–H Bonds and Proton-Coupled Electron Transfer Process by Transition Metal Complexes via Computational Methods

Description: Computational techniques, mostly density functional theory (DFT), were applied to study metal-based catalytic processes for energy conversion reactions. In the first and second projects, the main focus was on activation of the light alkanes such as methane, which have thermodynamically strong and kinetically inert C–H bonds plus very low acidity/basicity. Two Mo-oxo complexes with the different redox non-innocent supporting ligands, diamide-diimine and ethylene-dithiolate, were modeled. These M… more
Date: May 2020
Creator: Nazemi, Azadeh
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
open access

A Combined Theoretical and Experimental Study on Deposition of Solid State Materials

Description: Deposition of solid state materials span a wide variety of methods and often utilize high energy sources such as plasmas and ultra-violet light resulting in a wide variety of characteristics and applications. A fundamental understanding is essential for furthering the applications of these materials which include catalysis, molecular filtration, electronics, sensing devices, and energy storage among others. A combination of experimental and theoretical work is presented here on several material… more
Date: August 2020
Creator: Lee, Veronica
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
open access

Computational Study of C−H/C−C Activation and Functionalization with Nitrene, Carbene and Related Complexes

Description: This dissertation involves inorganic/organometallic catalysis models, in particular the functionalization of carbon-hydrogen and carbon-carbon bonds. Computational methods have been utilized to better understand the factors affecting the kinetics and thermodynamics of C−H and C−C bond activation/functionalization in this dissertation. Chapter 2 investigates methane C−H activation with a diiminopyridine nitride/nitridyl complex of 3d transition metals and main group elements via three competing … more
Date: December 2020
Creator: Sun, Zhicheng
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
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Mass Spectrometry Guided Development of a Controlled Release Nanotransfersome Transdermal Drug Delivery System

Description: Poor medical adherence attributed to patient compliance has impacted the medical community, at times, in a deleterious fashion. To combat this, the medical community has attempted to provide therapeutics in the form of absorption enhancing techniques. To improve the absorption rate techniques such as drug encapsulation using proteins, liposomes, or nanotransfersomes have been developed using mass spectrometry. These techniques, have aided in the enhanced absorption of analytes with low bioavail… more
Date: December 2020
Creator: Kiselak, Thomas Dieter
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
open access

Activation of Small Molecules by Transition Metal Complexes via Computational Methods

Description: The first study project is based on modeling Earth abundant 3d transition-metal methoxide complexes with potentially redox-noninnocent ligands for methane C–H bond activation to form methanol (LnM-OMe + CH4 → LnM–Me + CH3OH). Three types of complex consisting of tridentate pincer terpyridine-like ligands, and different first-row transition metals (M = Ti, V, Cr, Mn, Fe, Co, Ni, and Cu) were modeled to elucidate the reaction mechanism as well as the effect of the metal identity on the thermodyna… more
Date: May 2020
Creator: Najafian, Ahmad
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries

Synthesis and Studies of Wide-Band Capturing BODIPY-Fullerene Based Donor-Acceptor Systems

Description: Artificial photosynthesis is the process, which mimics the natural photosynthesis process in order to convert solar energy to chemical energy. This process can be separated into four parts, which are antenna system, reaction center, water oxidation center, and proton reduction center. If we only focus on the ‘antenna system and reaction center' modules, expanding the absorption band in antenna system and generating long-lived charge separated state in reaction center are two fantastic strategie… more
Date: May 2020
Creator: Shao, Shuai
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries

Novel Metal-Containing Nanoparticle Composites for Cancer Therapy and Imaging

Description: With all the improvements in cancer treatments, multidrug resistance is still the major challenge in treating cancer. Cells can develop multidrug resistance (MDR) during or after treatment, which will render the cancer cells resistant not only to the chemotherapy drug being used but also to many other structurally- and mechanically-different chemotherapeutics. In the first project, the main focus was on development of drug resistant cell lines by selection with taxol. Gene changes in the L1T2 c… more
Date: August 2020
Creator: Nasiri, Nooshin Mirza
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries

Copper Wire-Bonding Reliability: Mechanism and Prevention of Galvanic Aluminum Bond Pad Corrosion in Acidic Chloride Environments

Description: With the reliability requirements of automobile microelectronics pushing towards near 0 ppb levels of failure control, halide induced corrosion issues in wire bonded devices have to be tightly controlled to achieve such a high reliability goal. With real-time corrosion monitoring, for the first time we demonstrated that the explosive H2 evolution coupled with the oxygen reduction reaction, occurring at the critical Al/Cu interfaces, is the key driving force for the observed aggressive corrosion… more
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Date: May 2020
Creator: Asokan, Muthappan
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
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