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Full-Text Articles in Engineering Science and Materials

Chemical And Electronic Structure Of Surfaces And Interfaces In Cadmium Telluride Based Photovoltaic Devices, Douglas Arthur Duncan Dec 2015

Chemical And Electronic Structure Of Surfaces And Interfaces In Cadmium Telluride Based Photovoltaic Devices, Douglas Arthur Duncan

UNLV Theses, Dissertations, Professional Papers, and Capstones

The surface and interface properties are of the upmost importance in the understanding, optimization, and application for photovoltaic devices. Often the chemical, electronic, and morphological properties of the films are empirically optimized, however when progress slows, a fundamental understanding of these properties can lead to breakthroughs. In this work, surfaces and interfaces of solar cell-relevant films are probed with a repertoire of X-ray analytical and microanalysis techniques including X-ray photoelectron (XPS), X-ray excited Auger electron (XAES), X-ray emission (XES) spectroscopies, and atomic force (AFM) and scanning electron (SEM) microscopies.

Silicon-based devices currently dominate the solar market, which is rather inflexible ...


Development Of A Two-Fluid Drag Law For Clustered Particles Using Direct Numerical Simulation And Validation Through Experiments, Ahmadreza Abbasi Baharanchi Nov 2015

Development Of A Two-Fluid Drag Law For Clustered Particles Using Direct Numerical Simulation And Validation Through Experiments, Ahmadreza Abbasi Baharanchi

FIU Electronic Theses and Dissertations

This dissertation focused on development and utilization of numerical and experimental approaches to improve the CFD modeling of fluidization flow of cohesive micron size particles. The specific objectives of this research were: (1) Developing a cluster prediction mechanism applicable to Two-Fluid Modeling (TFM) of gas-solid systems (2) Developing more accurate drag models for Two-Fluid Modeling (TFM) of gas-solid fluidization flow with the presence of cohesive interparticle forces (3) using the developed model to explore the improvement of accuracy of TFM in simulation of fluidization flow of cohesive powders (4) Understanding the causes and influential factor which led to improvements and ...


Effect Of Surface Omniphobicity On Drying By Forced Convection, Madani A. Khan, Jeffrey Alston, Andrew Guenthner Aug 2015

Effect Of Surface Omniphobicity On Drying By Forced Convection, Madani A. Khan, Jeffrey Alston, Andrew Guenthner

STAR (STEM Teacher and Researcher) Presentations

Low energy surfaces can strongly repel both oil and water. Recently these surfaces have been fabricated on various substrates including fabric, aluminum, stainless steel and many other materials. In this experiment we explore the use of low energy surface deposition on aluminum alloy, stainless steel and silicon substrates, to enhance the drying rate of liquids removed from the surface by forced convection. We control surface roughness by substrate abrasion and by the growth of Al2O3 nanograss to enhance liquid repellence by use of a hierarchical texture. Liquid repellence of the substrates is measured by contact angles of ...


Highly-Selective Chemiresistive Sensing And Analysis Of Vapors Using Functionalized Nanotubes, Deon Hines Feb 2015

Highly-Selective Chemiresistive Sensing And Analysis Of Vapors Using Functionalized Nanotubes, Deon Hines

All Dissertations, Theses, and Capstone Projects

Specifically, the project involves the development of a diversified array of nanostructured gas-sensors comprised of selectively, novel surface-functionalized carbon nanotubes (for analyte selectivity by virtue of functionality). Harnessing carbon nanotubes with various electron withdrawing and donating groups help in determining their affinity toward certain prognostic gaseous markers thus increasing specificity of such created sensors. We have devised synthetic routes that have led to the facile production of covalently polyfunctionalized nanotubes in high yield. Seven carbon nanotube analogues were systematically considered and then chemically synthesized, from pristine single-walled nanotubes (SWNT's), for use as the main component of sensory units that ...


Synthesis And Characterization Of A Novel Polyacetal & Design And Preparation Of Superhydrophobic Photocatalytic Surfaces, Yuanyuan Zhao Feb 2015

Synthesis And Characterization Of A Novel Polyacetal & Design And Preparation Of Superhydrophobic Photocatalytic Surfaces, Yuanyuan Zhao

All Dissertations, Theses, and Capstone Projects

Polyacetal polymers are thermoplastic resins that play an important role in industry because of numerous industrial applications including automobile; household appliance; etc. The first part of this thesis (Chapter 2) is about the synthesis of a new acetal copolymer that exhibits superior thermal stability. The second part of this thesis (Chapter 3) is about the preparation and applications of TiO2-based polymer nanocomposite films, where the reactive oxygen species (ROS) are generated on the solid surface. Catalytic nanocomposite films are an active area of research because of their potential uses for environmental remediation and chemical synthesis. Furthermore, to enhance ...


Inżynieria Chemiczna Ćw., Wojciech M. Budzianowski Jan 2015

Inżynieria Chemiczna Ćw., Wojciech M. Budzianowski

Wojciech Budzianowski

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Tematyka Prac Doktorskich, Wojciech M. Budzianowski Jan 2015

Tematyka Prac Doktorskich, Wojciech M. Budzianowski

Wojciech Budzianowski

No abstract provided.


Multiscale Simulations Of Dynamics Of Ferroelectric Domains, Shi Liu Jan 2015

Multiscale Simulations Of Dynamics Of Ferroelectric Domains, Shi Liu

Publicly Accessible Penn Dissertations

Ferroelectric materials exhibiting switchable polarization have been used as critical components in electronics, memory, actuators and acoustics, and electro-optics. The applications of ferroelectric materials heavily rely on the interactions between the polarization and external perturbations, such as electric field, stress, and temperature. It is therefore crucial to understand the dynamics of ferroelectric response at finite temperature. Despite the tremendous advance of computational power and the success of first-principles methods, large-scale simulations of dynamics in oxides at finite temperature can still only be performed using classical atomistic potential. We first develop a model potential based on principles of bond-valence and bond-valence ...


Surface Reconstructions Of Perovskite-Type Oxides: Their Exotic Structures And Modified Chemistry, John Mark Pinat Martirez Jan 2015

Surface Reconstructions Of Perovskite-Type Oxides: Their Exotic Structures And Modified Chemistry, John Mark Pinat Martirez

Publicly Accessible Penn Dissertations

The ability to manipulate the atomic and electronic structures and stoichiometry of surfaces is of utmost importance in optimizing heterogeneous catalysts. A critical requirement in this endeavor is a deep thermodynamic and kinetic understanding of surface reconstruction behavior, under various thermal and chemical constraints. We explore the reconstruction behaviors (structure and chemistry) of Ti-based perovskite type oxides: BaTiO3, PbTiO3 and SrTiO3. The former two exhibit ferroelectricity. We find that these oxides undergo surface reconstruction transformations that generally result in enrichment of their catalytically active component: Ti. These reconstructions show rich bonding and structural motifs that affect the ...


Optical And Structural Studies Of Shape-Controlled Semiconductor Nanocrystals And Their Self-Assembled Solids, Benjamin Tavenner Diroll Jan 2015

Optical And Structural Studies Of Shape-Controlled Semiconductor Nanocrystals And Their Self-Assembled Solids, Benjamin Tavenner Diroll

Publicly Accessible Penn Dissertations

Colloidal nanocrystals are prominent candidates to displace current electronic active layers in solid-state device technologies and offer a body of physics which diverges from those of bulk materials and discreet molecules. Realizing the potential of colloidal nanocrystals may transform the costs and performance of common technologies, but understanding of the relationship between particle size, shape, uniformity, and composition and outputs like physical properties or device performance is often incomplete. This work uses the controlled synthesis of anisotropic colloidal nanocrystals to implement characterization techniques including X-ray diffraction and simulation, which allows an ensemble-level description of particle structure, as well as polarized ...


Form And Function: X-Ray Scattering And Spectroscopy Of Transition Metal-Based Nanoparticles, Vicky V T Doan-Nguyen Jan 2015

Form And Function: X-Ray Scattering And Spectroscopy Of Transition Metal-Based Nanoparticles, Vicky V T Doan-Nguyen

Publicly Accessible Penn Dissertations

In recent decades, nanoparticles have been found to possess unique, tunable properties with an enormous variety of applications. The atomic and nanoscale structures govern these functional properties, and structural deviations from the bulk, in part, are responsible for the vast technological uses of nanoparticles. This dissertation tackles the understanding of structure in a number of metal, metal phosphide, and metal oxide nanoparticle systems. Additionally, the syntheses of monodispersed nanoparticle systems allow for correlating their structure with functional properties. Real space analysis using pair distribution functions of monometallic (Ni, Pd) nanoparticles of less than 5 nm in diameter revealed a deviation ...


The Optoelectronic Properties Of Surface-Modified Semiconductor Nanocrystal Solids, Earl D. Goodwin Jan 2015

The Optoelectronic Properties Of Surface-Modified Semiconductor Nanocrystal Solids, Earl D. Goodwin

Publicly Accessible Penn Dissertations

Colloidal semiconductor nanocrystals have emerged as fascinating new materials and gained interest in the last 30 years because of their size, shape, and compositionally tunable electronic and optical properties as well as their potential to serve as artificial atoms. Challenges and opportunities have arisen when assembling nanocrystals into nanocrystal solids for electronic and optoelectronic applications, largely because of the significant influence of nanocrystal surface chemistry on the electronic, optical, and structural properties of nanocrystal solids. In order to assemble nanocrystal solids for high performance devices, we must understand and be able to control the effects of nanocrystal surface organic capping ...


Surface Chemistry Mediated Assembly Of Polymer-Grafted Nanorods In Solution And Polymer Matrices, Robert Charles Ferrier Jan 2015

Surface Chemistry Mediated Assembly Of Polymer-Grafted Nanorods In Solution And Polymer Matrices, Robert Charles Ferrier

Publicly Accessible Penn Dissertations

In the dissertation, I investigate ways to assemble nanorods, typically made of gold, in solution and polymer matrices by controlling surface chemistry. Gold nanorods were anisotropically functionalized with polymer on the side and alkane dithiol on the end causing the gold nanorods to spontaneously assemble in solution. The assembly could be tuned by controlling the incubation time which affected the solution absorbance due to plasmon coupling. Linked gold nanorods were cast in polymer thin films and their optical properties were imparted to the film. This anisotropic functionalization method was utilized to placed DNA or peptides on the ends of the ...


Synthesis And Characterization Of Transition Metal Based Metal Oxide And Metallic Nanocrystals For Ac Magnetic Devices And Catalysis, Hongseok Yun Jan 2015

Synthesis And Characterization Of Transition Metal Based Metal Oxide And Metallic Nanocrystals For Ac Magnetic Devices And Catalysis, Hongseok Yun

Publicly Accessible Penn Dissertations

The d-block elements are very important in magnetics, electronics, catalysis, and biological systems. The synthesis and characterization of nearly monodisperse d-block element based nanocrystals with a precise control over the size, composition, and shape are important to utilize the nanocrystals in such applications. The goals of my thesis are to synthesize d-block transition metal based nanocrystals and understand their magnetic and catalytic properties. I present the size- and composition-dependent AC magnetic permeability of superparamagnetic iron oxide nanocrystals for radio frequency applications. The nanocrystals are synthesized through high-temperature solvothermal decomposition, and their stoichiometry is determined by Mossbauer spectroscopy. Size-dependent magnetic permeability ...


Engineering Extracellular Matrix Signals Into Fibrous Hyaluronic Acid Hydrogels, Ryan Joseph Wade Jan 2015

Engineering Extracellular Matrix Signals Into Fibrous Hyaluronic Acid Hydrogels, Ryan Joseph Wade

Publicly Accessible Penn Dissertations

Hydrogels have gained widespread use in biomedical applications for their ability to mimic certain features of the natural extracellular matrix (ECM) including tissue-like mechanics, water-swollen environments, and biodegradability. Despite these advantages, hydrogels typically do not present the fibrous architecture of natural ECM, even though this structure can guide cell behavior and tissue function. With this in mind, the overall goal of this dissertation is the translation of hydrogels from hyaluronic acid (HA) macromers into more complex, fibrous networks with spatiotemporal control. First, HA macromers that contain protease-cleavable and fluorescent peptides were synthesized and shown to form both isotropic hydrogels and ...


Evaluation And Optimization Of Photovoltaic Cells Comprised From Benzodifuran And Benzobisoxazole Based Polymers, Monique Donica Ewan Jan 2015

Evaluation And Optimization Of Photovoltaic Cells Comprised From Benzodifuran And Benzobisoxazole Based Polymers, Monique Donica Ewan

Graduate Theses and Dissertations

Organic solar cells were fabricated from polymers based on benzodifuran and benzobisoxazole. Through optimizations, a maximum power conversion efficiency of 2.89 % was obtained for solar cells fabricated with benzodifuran-based polymers. Through similar optimizations, a maximum power conversion efficieny of 2.78% was obtained for solar cells fabricated with benzobisoxazole-based polymers.


Transition States And Modeling For Co9s8/Mos2 Catalysis, Gabriel Angel Gonzalez Jan 2015

Transition States And Modeling For Co9s8/Mos2 Catalysis, Gabriel Angel Gonzalez

Open Access Theses & Dissertations

Transition state computational studies of the sulfur removal from dibenzothiophene (DBT) molecule have herein been performed considering the Co9S8/MoS2 interface existing on unsupported Co/MoS2 catalysts. The linear synchronous transit (LST) and quadratic synchronous transit (QST) methods integrated in a density functional theory (DFT) program such as Dmol3 were used for the calculations of energy barriers of the transition states. Three different configurations present on the Co9S8/MoS2 interface have been envisaged as possible catalytic sites: sulfur-sulfur (S, S) sites, and molybdenum-sulfur (Mo, S) and molybdenum-molybdenum (Mo, Mo) edge sites. This study revealed that the (Mo, Mo) edge site ...


Functional Silica-Encapsulated Photoactive Nanocrystals, Chia-Cheng Lin Jan 2015

Functional Silica-Encapsulated Photoactive Nanocrystals, Chia-Cheng Lin

Graduate Theses and Dissertations

Silica-based nanocomposites with core/shell configurations have diverse functionalities and applications. We present the preparation and characterization of Co3O4/porous-SiO2 nanocomposites with the examination of their catalytic activity in the dye sensitized water oxidation reaction; a generalized methodology to prepare metal chalcogenides/pnictides with one-pot and one-step manner; the synthesis of Au/Ag/SiO2 multishell nanorods and their application as imaging probes in single particle tracking experiments.

Silica supported Co3O4 nanocomposites have recently drawn much attention due to their high catalytic ability in the water oxidation reaction. We have synthesized several Co3O4/porous silica nanocomposites to study the synergetic effects ...


Fundamental Studies And Practical Catalytic Applications Of Silica Encapsulated Alloys Synthesized Using The Inorganic Capping Agent And Water-In-Oil Microemulsion Approaches, Kyle Brashler Jan 2015

Fundamental Studies And Practical Catalytic Applications Of Silica Encapsulated Alloys Synthesized Using The Inorganic Capping Agent And Water-In-Oil Microemulsion Approaches, Kyle Brashler

Graduate Theses and Dissertations

Ordered alloys have been studied frequently as catalysts in recent years because of their modified electronic and geometric structure relative to monometallic catalysts. A recent report claims that perfluorinated ligands enhance the activity and cinnamyl alcohol selectivity during cinnamaldehyde hydrogenation over low temperature synthesized Pt-Fe catalysts, however, other publications discussing supported Pt-Fe alloys report enhanced catalytic properties without the need for hydrophobic perfluorinated ligand additives. One of the objectives of this thesis is to elucidate the effects of Fe and organic capping agents on the catalytic properties of Pt-Fe alloys during cinnamaldehyde hydrogenation.

Recently, mesoporous shells were reported for three-dimensional ...


Transition Metal Carbide (Tmc) Novel Materials For Novel Catalytic Applications, Svetlana Lagoykina Jan 2015

Transition Metal Carbide (Tmc) Novel Materials For Novel Catalytic Applications, Svetlana Lagoykina

Open Access Theses & Dissertations

Transition metal carbides (TMC) constitute a diverse class of materials and traditionally have many technological applications. TMC became a subject of extensive research since 1973, when their platinum -like properties were discovered. They demonstrated high catalytical activity and selectivity in a variety of chemical reaction and have potential for some novel catalytic application.

This research is an effort to design new high effective, selective and stable bimetal or alkali promoted TMC catalyst. After extensive theoretical research a wide range of TMC, including bimetal and alkali promoted carbides, were synthesized by different methods. All solids were characterized by XRD and microscopy ...


Structure-Property Relationships Of Imidazolium-Containing Polymer Systems: Homopolymers, Block Copolymers, And Block Copolymer/Ionic Liquid Mixtures, Sharon Sharick Jan 2015

Structure-Property Relationships Of Imidazolium-Containing Polymer Systems: Homopolymers, Block Copolymers, And Block Copolymer/Ionic Liquid Mixtures, Sharon Sharick

Publicly Accessible Penn Dissertations

Advanced solid-state polymer electrolytes for electrochemical and energy storage applications are needed to replace conventional liquid electrolytes that are unstable, flammable, and volatile. In particular, a fundamental understanding of morphology-ionic conductivity relationships is necessary to improve the ionic conductivity of ion-containing polymer systems. To this end, we investigate the structure-property relationships of homopolymer and block copolymer systems containing imidazolium-based ionic liquids (ILs). We first explore the effects of anion type and pendant alkyl chain length on the morphologies and properties of polymerized ionic liquid (PIL) homopolymers with bound cations. In both acrylate-based and vinylimidazolium PIL homopolymers, nanoscale segregation of polar ...


Exchange Mechanisms In Macroscopic Ordered Organic Magnetic Semiconductors, Naveen Rawat Jan 2015

Exchange Mechanisms In Macroscopic Ordered Organic Magnetic Semiconductors, Naveen Rawat

Graduate College Dissertations and Theses

Small molecule organic semiconductors such as phthalocyanines and their derivatives represent a very interesting alternative to inorganic semiconductor materials for the development of flexible electronic devices such as organic thin field effect transistors, organic Light Emitting Diodes and photo-voltaic cells. Phthalocyanine molecules can easily accommodate a variety of metal atoms as well in the central core of the molecule, resulting in wide range of magnetic properties. Exploration of optical properties of organic crystalline semiconductors thin films is challenging due to sub-micron grain sizes and the presence of numerous structural defects, disorder and grain boundaries. However, this can be overcome by ...


Zespół Energii Odnawialnej I Zrównoważonego Rozwoju (Eozr), Wojciech M. Budzianowski Dec 2014

Zespół Energii Odnawialnej I Zrównoważonego Rozwoju (Eozr), Wojciech M. Budzianowski

Wojciech Budzianowski

No abstract provided.