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Metal-Organic Hybrid Nanocomposites For Energy Harvesting Applications, Thulitha Madawa Abeywickrama 2016 Western Kentucky University

Metal-Organic Hybrid Nanocomposites For Energy Harvesting Applications, Thulitha Madawa Abeywickrama

Masters Theses & Specialist Projects

Various synthetic methods have been developed to produce metal nanostructures including copper and iron nanostructures. Modification of nanoparticle surface to enhance their characteristic properties through surface functionalization with organic ligands ranging from small molecules to polymeric materials including organic semiconducting polymers is a key interest in nanoscience. However, most of the synthetic methods developed in the past depend widely on non-aqueous solvents, toxic reducing agents, and high temperature and high-pressure conditions. Therefore, to produce metal nanostructures and their nanocomposites with a simpler and greener method is indeed necessary and desirable for their nano-scale applications. Hence the objective of this thesis ...


Probing The Structure And Photophysics Of Porphyrinoid Systems For Functional Materials, Christopher D. Farley 2016 The Graduate Center, City University of New York

Probing The Structure And Photophysics Of Porphyrinoid Systems For Functional Materials, Christopher D. Farley

All Graduate Works by Year: Dissertations, Theses, and Capstone Projects

Porphyrins (Pors) and their many cousins, including phthalocyanines (Pcs), corroles (Cors), subphthalocyanines (SubPcs), porphyrazines (Pzs), and naphthalocyanines (NPcs), play amazingly diverse roles in biological and non-biological systems because of their unique and tunable physical and chemical properties. These compounds, collectively known as porphyrinoids, can be employed in any number of functional devices that have the potential to address the challenges of modern society. Their incorporation into such devices, however, depends on many structural factors that must be well understood and carefully controlled in order to achieve the desired behavior. Self-assembly and self-organization are key processes for developing these new technologies ...


Photodynamic Killing Of Human Cancer Cells With Smart Photosensitizer Materials And An Endoscopic Implement For Singlet Oxygen Delivery, Mihaela N. Minnis 2016 The Graduate Center, City University of New York

Photodynamic Killing Of Human Cancer Cells With Smart Photosensitizer Materials And An Endoscopic Implement For Singlet Oxygen Delivery, Mihaela N. Minnis

All Graduate Works by Year: Dissertations, Theses, and Capstone Projects

The thesis describes progress on probe tips for a microoptic device for the precise delivery of the components necessary for photodynamic therapy (PDT) in a highly localized and controllable fashion. The thesis also summarizes results of a photosensitized oxidation study. The work focused on i) developing a photoactive fluoropolymer surface that will release sensitizer drug molecule for use in PDT, ii) designing new probe tips surfaces for use as sensitizer support for a microoptic PDT device, iii) exploring strategies for covalent attachment of sensitizers and model compounds to Teflon/PVA surfaces with the aim of being coupled with our microoptic ...


Model Of The Formation Of Iron Oxide Nanoparticles By Irradiation In Aqueous Media, Thomas I. Sutherland 2016 The University of Western

Model Of The Formation Of Iron Oxide Nanoparticles By Irradiation In Aqueous Media, Thomas I. Sutherland

Electronic Thesis and Dissertation Repository

This thesis aims to develop the mechanistic understanding of the formation of iron oxide nanoparticles by γ-irradiation. Under irradiation water breaks down into a wide array of redox active species (H•, •OH, H2O2, •e-(aq)) uniformly throughout the solution. These species are capable of rapidly interconverting any soluble FeII and insoluble FeIII species resulting in the formation of nanoparticles with a narrow size distribution. The initial concentration of Fe2+ in the solution, the solution pH, the presence of any radical scavengers, the temperature of the reaction, and the dose rate of the Co60 ...


Revisiting The Fenceplot For The Maxwell Construction Of A Van Der Waals Fluid, Carl W. David 2016 University of Connecticut

Revisiting The Fenceplot For The Maxwell Construction Of A Van Der Waals Fluid, Carl W. David

Chemistry Education Materials

An earlier published plot intended to better explain the Maxwell construction of the vapor pressure construct for van der Waals fluids is improved using Inkscape.


Koh Etching Of (100) Si Wafer, No 2, Inayat Bajwa 2016 Quattrone Nanofabrication Facility

Koh Etching Of (100) Si Wafer, No 2, Inayat Bajwa

Protocols and Reports

This report describes KOH etching of (100) Si wafer through a hard mask of silicon oxide, and reveals that the scattered etch rate is ascribed to the etch rates of the different crystal planes exposed during the etching.


Photo-Isomerizable Self-Complementary Hydrogen Bond Arrays, Iamnica Janic Linares Mendez 2016 The University of Western Ontario

Photo-Isomerizable Self-Complementary Hydrogen Bond Arrays, Iamnica Janic Linares Mendez

Electronic Thesis and Dissertation Repository

This thesis exploits the use of a photochromic system in a self-complementary hydrogen bond array; i.e. the azo group, -N=N. The novelty of the approach described in this thesis resides in the double function of the azo group within the array: as a hydrogen bond acceptor site and as an element that promotes a structural change capable of disrupting the complexation equilibrium when irradiated with light.

The photo-isomerizable self-complementary hydrogen bond arrays presented are obtained by a general and practical synthetic method from inexpensive starting materials. Their self-complementary recognition was corroborated by 1H NMR dilution experiments and ...


Fractional Charge Methods For Correcting Approximate Kohn-Sham Potentials, Darya N. Komsa 2016 The University of Western Ontario

Fractional Charge Methods For Correcting Approximate Kohn-Sham Potentials, Darya N. Komsa

Electronic Thesis and Dissertation Repository

The Kohn-Sham density functional theory relies on approximating the exchange-correlation energy functional or the corresponding potential. The behavior of the exchange-correlation potential as a function of position in a system can be used to detect and correct deficiencies of the parent functional. The too-fast decay of the potentials derived from common density functionals is a major problem, because it causes inaccurate Rydberg excitation energies and erroneous fractional charges in dissociating molecules. An efficient method to correct the shape of the exchange-correlation potential was proposed by Gaiduk et al. [A. P. Gaiduk, D. S. Firaha, and V. N. Staroverov, Phys. Rev ...


First Line Shape Analysis And Spectroscopic Parameters For The Ν11 Band Of 12c2h4, Et-touhami Es-sebbar, John JohnMantzaras, Yves Benilan, Aamir Farooq 2016 Paul Scherrer Institute (PSI)

First Line Shape Analysis And Spectroscopic Parameters For The Ν11 Band Of 12c2h4, Et-Touhami Es-Sebbar, John Johnmantzaras, Yves Benilan, Aamir Farooq

Dr. Et-touhami Es-sebbar

An accurate knowledge of line intensities, collisional broadening coefficients and narrowing parameters is necessary for the interpretation of high-resolution infrared spectra of the Earth and other planetary atmospheres. One of the most promising spectral domains for 12C2H4 monitoring in such environments is located near the 3.36 µm window, through its ν11 C–H stretching mode. In this paper, we report an extensive study in which we precisely determine spectroscopic parameters of 12C2H4 ν11 band at 297±1 K, using a narrow Difference-Frequency-Generation (DFG) laser with 10−4 cm−1 resolution. Absorption measurements were performed in the 2975–2980 cm ...


Verwiebe's "3-D" Ice Phase Diagram Reworked, Carl W. David 2016 University of Connecticut

Verwiebe's "3-D" Ice Phase Diagram Reworked, Carl W. David

Chemistry Education Materials

The two dimensional phase diagrams of the various forms of ice are difficult to read and understand. A ``3D'' versions appearing ~80 years ago helps understanding of the phases and their inter-conversion into other phases.


Mechanism Of Ethanol Partial Oxidation Over Titania Supported Vanadia Catalysts: Geometric And Electronic Structure Consequences On Reaction Kinetics, Dongmin Yun 2016 The University of Western Ontario

Mechanism Of Ethanol Partial Oxidation Over Titania Supported Vanadia Catalysts: Geometric And Electronic Structure Consequences On Reaction Kinetics, Dongmin Yun

Electronic Thesis and Dissertation Repository

Supported vanadium oxide catalysts (VOx) are used for a wide range of industrial processes. A significant amount of research has been carried on this specific system with the aim to identify the critical parameters involved in catalytic activity. The results on this relative large body of research indicate that the catalyst support plays a critical role in determining the catalytic activity of vanadia and the use of titanium dioxide as support renders a catalyst with superior activity. Studies on supported vanadia on titanium oxide (VOx/TiO2) have provided an understanding on support interactions that result in tuning ...


Interaction Between Charge-Transfer States Studied By Magnetic Field Effects, Mingxing Li 2016 University of Tennessee, Knoxville

Interaction Between Charge-Transfer States Studied By Magnetic Field Effects, Mingxing Li

Doctoral Dissertations

Organic semiconducting materials, consisting mostly of carbon and hydrogen atoms, provide remarkable promise for electronic applications due to their easy processing, chemical tenability, low costs and environmental-friendly characteristics. For realizing electronic applications such as light emitting diodes and photovoltaic cells, charge-transfer states act as an important intermediate state for recombination and dissociation. Interestingly, magnetic field effects on semiconducting materials have been realized based on the suppression of spin mixing in the charge-transfer states. Although lots of studies have been carried out on investigating the properties of charge-transfer states, little has been done to consider the interaction between them. This thesis ...


Comparative Analysis Of In Situ Fibronectin Using Tof-Sims, Spi-Ms, And Dropdesi-Ms In A Microfluidic Reactor, Shannon Fasing, Xiao-Ying Yu, Juan Yao, Jiachao Yu 2016 Pacific Northwest National Laboratory

Comparative Analysis Of In Situ Fibronectin Using Tof-Sims, Spi-Ms, And Dropdesi-Ms In A Microfluidic Reactor, Shannon Fasing, Xiao-Ying Yu, Juan Yao, Jiachao Yu

STAR (STEM Teacher and Researcher) Presentations

Fibronectin is an important biomolecule due to its role in cell differentiation, growth, kinesis, and adhesion. Such biological responses are mediated through membrane recognition and signaling; where fibronectin is found. Studying the outer molecular surface of fibronectin allows deeper insight into the microbiological reactions that occur during these processes. In situ mass spectrometry analysis in aqueous solution accurately represents fibronectin’s chemical components, made possible by a vacuum compatible microfluidic reactor, SALVI (System for Analysis at the Liquid Vacuum Interface). SALVI was paired with the analytical tools: time-of-flight secondary ion mass spectrometer (ToF-SIMS), single photon ionization mass spectrometer (SPI-MS) and ...


Using In Situ Liquid Single Photon Ionization Mass Spectrometry (Spi-Ms) To Probe Lithium Polysulfide Electrolyte In Motion, Aala M. Al Hasan, Jiachao Yu, Juan Yao, Vijayakumar Murugesan, Manjula Nandasiri, Xiao-Ying Yu 2016 University of Houston

Using In Situ Liquid Single Photon Ionization Mass Spectrometry (Spi-Ms) To Probe Lithium Polysulfide Electrolyte In Motion, Aala M. Al Hasan, Jiachao Yu, Juan Yao, Vijayakumar Murugesan, Manjula Nandasiri, Xiao-Ying Yu

STAR (STEM Teacher and Researcher) Presentations

The solid-liquid (s-l) interface is the most common interface encountered in electrochemical systems. The s-l interface has wide applications in energy storage, catalysis, and material sciences. In situ studies of chemical reactions taking place on the s-l interfaces can further our understanding of electron transfer and link to real-world device functions under challenging conditions. Direct probing of the solid electrode and liquid electrolyte interface has been realized using a vacuum compatible electrochemical microfluidic reactor, system for analysis at the liquid vacuum interface (SALVI) with time-of-flight secondary ion mass spectrometry (ToF-SIMS). Most recently, the electrochemical version of SALVI was integrated to ...


Characterization Of Etbe + Cl And Isooctane + Cl Combustion Products Using Synchrotron Photoionization, rong yao 2016 university of San Francisco

Characterization Of Etbe + Cl And Isooctane + Cl Combustion Products Using Synchrotron Photoionization, Rong Yao

Master's Theses

The low temperature (298 – 700 K) oxidation characterizations of a series of fuel additives (ETBE and isooctane) were studied at advanced light source in Lawrence Berkley National lab, using a multiplexed chemical kinetics photoionization mass spectrometer with tunable synchrotron radiation. Using Cl atoms as initiators in presence of oxygen, photoionization data were collected. Data analysis was performed via characterization of the reaction species photoionization spectra and kinetic traces, from which the products and also the intermediates were identified. Relevant reaction dynamics on potential energy surfaces were calculated, reaction enthalpies of each individual step were presented using the CBS-QB3 composite model ...


Structural Behavior Of Nbsexte2-X Superconductors Under High Pressure, Vahe Mkrtchyan 2016 University of Nevada, Las Vegas

Structural Behavior Of Nbsexte2-X Superconductors Under High Pressure, Vahe Mkrtchyan

UNLV Theses, Dissertations, Professional Papers, and Capstones

Niobium chalcogenide compounds have recently gained a great deal of interest due to the fact that a superconducting phase coexists with the charge density wave state (CDW), as well as their potential for numerous applications. Two superconducting compositions, NbSexTe2-x (x=2, 1.5) were prepared by solid state route using high purity Nb, Se, and Te powders. Powder X-ray diffraction patterns collected at ambient conditions for NbSe2 and NbSe1.5Te0.5 showed a single phase with hexagonal crystal structure, with space group P63mmc. High-pressure X-ray diffraction measurements were performed at the Advanced Photon Source at Argonne National Laboratory to investigate ...


Directed Self-Assembly Of Block Copolymer, No1, Hiromichi Yamamoto 2016 Singh Center

Directed Self-Assembly Of Block Copolymer, No1, Hiromichi Yamamoto

Protocols and Reports

The PS-rich and neutral PS-b-PMMA block copolymer (BCP) films were spin coated on the neutral random copolymer hydroxyl-terminated PS-r-PMMA layers grafted on the native oxide and 50 nm thick PECVD amorphous silicon oxide layers. Relationship between the grafting density of BCP and surface density of hydroxyl moiety on silicon oxide is discussed. Furthermore, optimization of annealing BCP films is reported, and wetted and de-wetted BCP films are shown in optical microscope images. In addition, finger print and nanopore structures of BCP films are also indicated in SEM images.


Development Of Instrumentation For The Analysis Of Photoconductivity In Functional Materials, Brandon L. Chapman 9741174 2016 University of Tennessee, Knoxville

Development Of Instrumentation For The Analysis Of Photoconductivity In Functional Materials, Brandon L. Chapman 9741174

University of Tennessee Honors Thesis Projects

No abstract provided.


Determination Of Kinetic Parameters Of Equilibrium Peracetic Acid And Hydrogen Peroxide To Calculate Self-Accelerating Decomposition, Ricky Mittiga 2016 Buffalo State College

Determination Of Kinetic Parameters Of Equilibrium Peracetic Acid And Hydrogen Peroxide To Calculate Self-Accelerating Decomposition, Ricky Mittiga

Multidisciplinary Studies Theses

Determination of Kinetic Parameters of Equilibrium Peracetic Acid and Hydrogen Peroxide to Calculate Self-Accelerating Decomposition Temperature

Peracetic acid is a simple molecule that works as a powerful oxidant in many applications including food safety and water disinfection. The synthesis of the compound is fairly well understood due to its straightforward synthesis by mixing acetic acid and hydrogen peroxide. However, the decomposition of the compound has not been well studied. Few sources are available to provide kinetic data for the decomposition along with data that shows when the compound will undergo a self-accelerated decomposition that could lead to disastrous effects.

This ...


Correlation Of Polymer Performance And Hansen Solubility Parameters, Daniel Jobse Mania 2016 University of Southern Mississippi

Correlation Of Polymer Performance And Hansen Solubility Parameters, Daniel Jobse Mania

Master's Theses

Ready-to-use (RTU) grout is becoming more important to the finish and remodeling construction industry. Market research shows it is a fast-growing product that not only is creating its own space, but is beginning to supplant existing technology.

The original intent of this research was to investigate formulation parameters and how they affect grout performance. It was learned that particle size and oil absorption (OA) value are important filler properties that affect performance as much as adequate packing density and optimal pigment volume concentration (PVC) without going beyond critical PVC (CPVC).

Polymer architecture was also determined to be extremely important, but ...


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