Physical Sciences and Mathematics Commons^™

Linking Structure And Dynamics In Metallic Liquids: A Combined Experimental And Molecular Dynamics Approach, Robert Ashcraft

Arts & Sciences Electronic Theses and Dissertations

A major outstanding problem in condensed matter physics is the nature of the glass transition, in which a rapidly cooled liquid can bypass the transition into a crystalline state and the liquid structure is "frozen-in" due to kinetic arrest. To characterize the fundamental features behind this transition the liquid, both in the high temperature (equilibrium) and supercooled state, needs to be better understood. By examining the relationship between structure and dynamics a better characterization of the liquid state and a determination of the mechanisms that are ultimately important for the formation of the glass can be gained. In this dissertation, …

Corrosion Dynamics Of Carbon Steel In Used Fuel Container Environments, Dan Guo

Electronic Thesis and Dissertation Repository

The current Canadian used nuclear fuel container (UFC) design uses a pressure‑grade carbon steel (CS) vessel with its outer surface coated with a thin layer of copper. One concern regarding the structural integrity of the UFC design is the potential internal corrosion of the CS vessel. Moisture trapped inside a UFC could condense within the gap between the hemispherical head and the cylindrical body of the vessel. The internal UFC environment will be exposed to a continuous flux of ionizing radiation arising from the decay of radionuclides trapped in the used UO₂ fuel matrix.

This thesis research project investigates …

A Simple And Robust Approach To Reducing Contact Resistance In Organic Transistors, Zachary A. Lamport, Katrina J. Barth, Hyunsu Lee, Eliot Gann, Sebastian Engmann, Hu Chen, Martin Guthold, Iain Mcculloch, John E. Anthony, Lee J. Richter, Dean M. Delongchamp, Oana D. Jurchescu

Chemistry Faculty Publications

Efficient injection of charge carriers from the contacts into the semiconductor layer is crucial for achieving high-performance organic devices. The potential drop necessary to accomplish this process yields a resistance associated with the contacts, namely the contact resistance. A large contact resistance can limit the operation of devices and even lead to inaccuracies in the extraction of the device parameters. Here, we demonstrate a simple and efficient strategy for reducing the contact resistance in organic thin-film transistors by more than an order of magnitude by creating high work function domains at the surface of the injecting electrodes to promote channels …

Application Of Silicon Nanohair Textured P-N Junctions In A Photovoltaic Device, Michael Small

Electronic Theses and Dissertations

The goal of this project is to design and develop a fabrication process for a silicon photovoltaic device which incorporates a nanohair textured p-n junction. The silicon nanowires are etched into a silicon wafer, comprising an epitaxial p-layer on n-substrate, via metal-assisted chemical etching (MACE). The resulting nanowires contain p-n junctions that lie along the length of the vertical nanowires. This construct has the potential to increase the optical bandwidth of a silicon photovoltaic device by allowing a greater amount of short wavelength light to reach the junction. In addition, the MACE method of nanofabrication has the potential for decreasing …

Fabrication And Characterization Of Electrochemical Glucose Sensors, Mohammed Marie

Graduate Theses and Dissertations

Electrochemical sensors based on the nanostructure of the semiconductor materials are of tremendous interest to be utilized for glucose monitoring. The sensors, based on the nanostructure of the semiconductor materials, are the third generations of the glucose sensors that are fast, sensitive, and cost-effect for glucose monitoring.

Glucose sensors based on pure zinc oxide nanorods (NRs) grown on different substrates, such ITO, FTO, and Si/SiO2/Au, were investigated in this research. Silicon nanowire (NW)- based glucose sensors were also studied. First, an enzyme-based glucose sensor was fabricated out of glass/ITO/ZnO NRs/BSA/GOx/nafion membrane. The sensor was tested amperometrically at different glucose concentrations. …

Polyhedral Oligomeric Silsesquioxane-Phosphate Glass Matrix Nanocomposites With Additional Chapter On Phosphate Glass-Poly(Ethylene Terephthalate) Matrix Composites, Kyoungtae Kim

Dissertations

Preparation and characterization of tin fluorophosphate glass (Pglass) matrix nanocomposites incorporating polyhedral oligomeric silsesquioxane (POSS) were investigated on the structural, thermal, morphological, mechanical, and rheological properties. Various processes including synthesis, extrusion and sintering processes were applied to prepare the nanocomposite samples. Another application of POSS with hydrophobic functional groups on the well-structured nanoscale silicate cage with three silanol groups was investigated to present the feasibility to use POSS molecule as a coating material on the surface of the hydrophilic inorganic glass. In addition, Poly(ethylene terephthalate) polymer matrix composites incorporating Pglass was studied to present the benefits of the Pglass with …

Improved Gas Sensing Performance Of Ald Azo 3-D Coated Zno Nanorods, P. Lin, X. Chen, K. Zhang, H. Baumgart

Electrical & Computer Engineering Faculty Publications

This paper reports an enhancement on the sensing performance of ZnO nanorod ethanol sensors with a new approach by utilizing nested coatings of Aluminum doped ZnO (AZO) thin films by Atomic Layer Deposition (ALD) technology. ZnO nanorods were grown by the hydrothermal method with the ZnO seed layer synthesized on Silicon wafers by ALD. To enhance the sensing performance of ZnO nanorod ethanol sensors, multiple coated AZO thin film 3-D coatings were deposited on the surface of the intrinsic ZnO nanorods by ALD.To investigate the sensing performance of the ZnO nanorods sensor for the detection of ethanol vapor, a gas …

Effective Magnetic And Electric Response Of Composite Materials, Mona Hassan Alsaleh

Doctoral Dissertations

Metamaterials (MMs) are nanocomposite materials consisting of metal-dielectric resonators much smaller in size than the wavelength of the incident light. Common examples of metamaterials are based on split ring resonators (SRRs), parallel wires or strips and fishnet structures. These types of materials are designed and fabricated in order to provide unique optical responses to the incident electromagnetic radiation that are not available in naturally existing materials. The MMs can exhibit unusual properties such as strong magnetism at terahertz (THz) and optical frequencies. Additionally, negative index materials (NIMs) can provide negative index of refraction which can be used in many applications …

Early Detection Of Corrosion Via Hydrogel-Based Spectroelectrochemical Sensors, Capri Ann Price

Dissertations and Theses

The backbone of the industrialized world is comprised of refined, zerovalent metal, a material which thermodynamically favors an oxidative return to more chemically stable states. There are many methods used to slow or delay this process, such as protective coatings, sacrificial anodes, and alloys, but no method can entirely prevent corrosion. This body of work instead proposes detecting the earliest chemical markers of corrosion: that is, metal ions as they solubilize from a metal surface. Such information would allow maintenance personnel to make informed decisions about the necessity or lack thereof of preventive maintenance, and intervene before advanced damage has …

Creating A Computational Tool To Simulate Vibration Control For Piezoelectric Devices, Ahmet Ozkan Ozer, Emma J. Moore

Posters-at-the-Capitol

Piezoelectric materials have the unique ability to convert electrical energy to mechanical vibrations and vice versa. This project takes a stab to develop a reliable computational tool to simulate the vibration control of a novel “partial differential equation” model for a piezoelectric device, which is designed by integrating electric conducting piezoelectric layers constraining a viscoelastic layer to provide an active and lightweight intelligent structure. Controlling unwanted vibrations on piezoelectric devices (or harvesting energy from ambient vibrations) through piezoelectric layers has been the major focus in cutting-edge engineering applications such as ultrasonic welders and inchworms. The corresponding mathematical models for piezoelectric …

Cementitious Sensors Exhibiting Stopbands In Acoustic Transmission Spectra, Shreya Vemuganti

Shared Knowledge Conference

Ultrasonic monitoring in cementitious materials is challenging due to the high degree of attenuation. In wellbore environments, monitoring becomes more challenging due to inaccessibility. Meta materials, also known as acoustic bandgap materials, exhibit an interesting feature of forbidding the propagation of elastic/sound waves and isolate vibration in a certain frequency band. Traditionally, acoustic bandgap materials are developed with inclusions such as tin, aluminum, gold, steel in a polymer matrix. In this study, we present the development of three-dimensional cementitious sensors capable of exhibiting stopbands in the acoustic transmission spectra using carbon nanotubes. Relatively wide stopbands were engineered using Floquet-Bloch periodic …

Two-Dimensional Layered Materials (Graphene-Mos2) Nanocatalysts For Hydrogen Production, Jacob Dobler, Taylor Robinson, Sanju Gupta 7455940

Posters-at-the-Capitol

Recent development of two-dimensional layered materials including graphene-family and related nanomaterials have arisen as potential game changer for energy, water and sensing applications. While graphene is a form of carbon arranged hexagonally within atomic thin sheet, MoS₂ is becoming a popular, efficient, and cost-effective catalyst for electrochemical energy devices, in contrast to expensive platinum and palladium catalysts. In this work, we electrochemically desulfurize few-layer molybdenum disulfide (MoS₂) and aerogels with reduced graphene oxide (rGO) prepared under hydrothermal conditions ((P< 20 bar, T< 200 ^oC), for improving hydrogen evolution reaction (HER) activity via point defects (S-vacancy). Moreover, the interactions between rGO …

Recent Process In Transition-Metal-Oxide Based Catalysts For Oxygen Reduction Reaction, Yao Wang, Zi-Dong Wei

Journal of Electrochemistry

Transition metal oxides (TMOs) based catalysts have become the most promising catalysts to be employed in anion exchange membrane fuel cell for the sluggish oxygen reduction reaction (ORR). However, their ORR activity is still far from that of the Pt-based catalysts. Therefore, it is important to develop high performance TMO based catalysts. Electrical conductivity and intrinsic activity have been regarded as the two keys to affect the ORR activity of the TMOs based catalysts. In this review, we focused on the recent progresses in the fundamental viewpoints on the electrical conductivity and intrinsic activity of the TMOs based ORR catalysts. …

Effects Of Sulfur-Containing Additive On Low Temperature Performance Of Graphite Anode, Ze-Li Wu, Ye-Zhen Zheng, Zhong-Ru Zhang, Yong Yang

Journal of Electrochemistry

The low temperature performance of lithium ion battery mainly depends on the graphite anode, and one of the research focuses is to improve the low temperature performance of the anode by additives. In this paper, the effects of different sulfur-containing functional groups such as DTD (ethylene sulfate), 1,3-PS (1,3-propane sultone) and ES (ethylene sulfite) on low temperature performances of artificial graphite materials were systematically studied. The results in density functional theory (DFT) calculations, cyclic voltammetry (CV), scanning electron microscopy (SEM) and charge-discharge measurement clearly demonstrated that all three sulfur-containing additives could participate in formation of films on the surface of …

Recent Advances In Non-Noble Metal Nanomaterials For Oxygen Evolution Electrocatalysis, Dan-Dan Zhao, Nan Zhang, Ling-Zheng Bu, Qi Shao, Xiao-Qing Huang

Journal of Electrochemistry

Hydrogen is a kind of renewable energies with the merits of environmentally friendly, abundance and high weight energy density, which can replace the fossil energy. The electrolysis of water is regarded as the most effective way to generate hydrogen. Owing to the sluggish kinetics and large overpotential of the anode oxygen evolution reaction (OER), the efficiency of the cathode hydrogen evolution reaction is greatly limited. Therefore, it is highly desirable to explore efficient, stable and low cost electrocatalysts to reduce the overpotential of OER and improve the efficiency of hydrogen evolution. Based on the natural characteristics of non-noble metal catalysts …

Research Progresses In Improvement For Low Temperature Performance Of Lithium-Ion Batteries, Yue-Ru Gu, Wei-Min Zhao, Chang-Hu Su, Chuan-Jun Luo, Zhong-Ru Zhang, Xu-Jin Xue, Yong Yang

Journal of Electrochemistry

Lithium-ion batteries (LIBs) have become a new research hotspot due to their high energy density and long service life. However, the temperature characteristics, especially the poor performance at low temperatures, have seriously limited their wider applications. In this report, the research progresses in the low temperature performance of LIBs are reviewed. The main existing limitations of LIBs at low temperatures were systematically analyzed, and followed by discussion on the recent improvements in low temperature performances by developing novel cathode, electrolyte, and anode materials. The developments for improving the low temperature performance of LIBs are prospected. The three most important factors …

The New Application Of Battery-Electrode Reaction: Decoupled Hydrogen Production In Water Electrolysis, Yuan-Yuan Ma, Zhao-Wei Guo, Yong-Gang Wang, Yong-Yao Xia

Journal of Electrochemistry

Hydrogen has been considered as a promising alternative to unsustainable fossil fuels because of its high calorific value, clean and abundant resources. Water electrolysis combined with renewable energy is regarded as the best way for hydrogen production, which will become the foundation of future hydrogen economy. For the past few years, many efforts have been employed to develop the cheap and high-performance catalyst for hydrogen evolution reaction and oxygen evolution reaction. However,the coupled hydrogen and oxygen evolution and the use of the expensive membrane have greatly restricted the flexibility of the conventional water electrolysis, and hindered the utilization of renewable …

Recent Advances In Continuous Models Of Electrochemical Supercapacitors, Hao-Tian Lu, Jing-Hong Zhou, Guang-Hua Ye, Xing-Gui Zhou

Journal of Electrochemistry

Electrochemical capacitors (supercapacitors) have been developed as a new type of energy storage device with high energy and power densities, which have the advantages of both fast charging-discharging as traditional capacitors and high energy density as batteries. Notable improvements in their electrochemical performance have been achieved in recent years owing to the recent advances in understanding of charge storage mechanisms and the development of advanced nanostructured materials. Recently, modeling and simulation of these supercapacitors has been applied as a useful approach to better understand the working mechanisms of the supercapacitors by describing the concentrations and electric fields inside the capacitors. …

Recent Progress In Organic Redox Flow Batteries, Li-Xing Xia, Hao Liu, Lin Liu, Zhan-Ao Tan

Journal of Electrochemistry

Redox flow batteries (RFBs) are promising candidate for balancing instability of grids caused by integration of intermittent renewable energies such as solar energy and wind energy. Along with wide deployments in solar energy and wind energy due to abundance and declining installation cost, it can be predicted that RFBs will enter a period of rapid development. Basically,RFBs are electrochemical energy storage devices that decouple energy and power of the system by storing liquid electrolyte in tanks outside battery system itself. Such a unique framework makes RFBs flexible and fulfills the various demands of grids. During battery operation, redox-active species are …

Synthesis Of Keggin Polyoxometalates Modified Carbon Paste Electrode As A Sensor For Dopamine Detection, Peng-Fei Dong, Na Li, Hai-Yan Zhao, Min Cui, Cong Zhang, Ju-Jie Ren, Xue-Ping Ji

Journal of Electrochemistry

Polyoxometalates, a class of anionic clusters with structure diversity and size variability, make them very attractive in many fields such as electrochemistry, catalysis and medicine. The Co(C₁₅N₆H₁₂)₂[PW₁₂O₃₈]·5H₂O（Co[PW₁₂O₃₈]） modified carbon paste electrode was prepared in this work, and its electrochemical performances as the sensor for dopamine detection were characterized with electrochemical impedance spectroscopy, cyclic voltammetry and differential pulse voltammetry. The preparation conditions and test conditions were optimized respectively. Under the optimized conditions, the POMs modified carbon paste electrode exhibited good selectivity and sensitivity …

Design Strategies Toward Highly Active Electrocatalysts For Oxygen Evolution Reaction, Tang Tang, Wen-Jie Jiang, Shuai Niu, Jin-Song Hu

Journal of Electrochemistry

Electrocatalytic water splitting is pivotal for efficient and economical production of hydrogen and oxygen gasses. However, the efficiency of the whole device is largely limited by the oxygen evolution reaction (OER) at the anode due to its sluggish kinetics. Thus, it is imperative to develop inexpensive, highly active OER catalysts to lower the reaction barriers. By examining the underlying critical factors for OER performance, this review outlines general principles for designing efficient nanosized OER catalysts, including (1) enhancing the intrinsic activity of active site by electronic modulation, crystallinity modulation, phase control, defect engineering and spin state engineering; (2) designing appropriate …

Electrodeposition Of Cobalt From Eutectic-Based Ionic Liquid, Rostom Ali M., Sankar Saha S, Ziaur Rahman Md

Journal of Electrochemistry

The electrodeposition of cobalt from a solution containing cobalt chloride in either a urea-choline chloride based or an ethylene glycol (EG)-choline chloride based ionic liquid has been carried out onto copper and steel cathodes by constant current and constant potential methods at different temperatures. The influences of various experimental conditions on electrodeposition and morphology of the deposited layers have been investigated by scanning electron microscopy (SEM) and X-ray diffraction (XRD)technique. It has been shown that the smooth, shiny with good adherence and bright metallic coloured cobalt coatings were obtained from both urea and EG based ionic liquids at the applied …

Swelling Induced Deformation Of Thermally Responsive Hydrogels, Ying Zhou

Doctoral Dissertations

Hydrogels are crosslinked polymeric networks imbibed with aqueous solutions. They undertake dramatic volume changes through swelling and deswelling processes, which can be stimulated by factors like temperature, pH or different chemicals. These unique properties render hydrogels particularly interesting for shape morphing related applications. In this thesis, we focus on the swelling induced deformation of thermally responsive hydrogels with lower critical solution temperatures (LCSTs), including poly(N-isopropylacrylamide) (PNIPAm) and poly(N,N-diethylacrylamide) (PDEAm). Particularly, benzophenone containing monomers are copolymerized with NIPAm or DEAm to create photocrosslinkable temperature-responsive polymers, which allows fabrication of hydrogels with controlled shapes and crosslinking …

Parallel Algorithms For Time Dependent Density Functional Theory In Real-Space And Real-Time, James Kestyn

Doctoral Dissertations

Density functional theory (DFT) and time dependent density functional theory (TDDFT) have had great success solving for ground state and excited states properties of molecules, solids and nanostructures. However, these problems are particularly hard to scale. Both the size of the discrete system and the number of needed eigenstates increase with the number of electrons. A complete parallel framework for DFT and TDDFT calculations applied to molecules and nanostructures is presented in this dissertation. This includes the development of custom numerical algorithms for eigenvalue problems and linear systems. New functionality in the FEAST eigenvalue solver presents an additional level of …

Magnetic Ordering In A Vanadium-Organic Coordination Polymer Using A Pyrrolo[2,3-D:5,4-D']Bis(Thiazole)-Based Ligand, Yulia A. Getmanenko, Christopher S. Mullins, Vladimir N. Nesterov, Stephanie Lake, Chad Risko, Ezekiel Johnston-Halperin

Chemistry Faculty Publications

Here we present the synthesis and characterization of a hybrid vanadium-organic coordination polymer with robust magnetic order, a Curie temperature T_C of ∼110 K, a coercive field of ∼5 Oe at 5 K, and a maximum mass magnetization of about half that of the benchmark ferrimagnetic vanadium(tetracyanoethylene)_~2 (V·(TCNE)_~2). This material was prepared using a new tetracyano-substituted quinoidal organic small molecule 7 based on a tricyclic heterocycle 4-hexyl-4H-pyrrolo[2,3-d:5,4-d′]bis(thiazole) (C₆-PBTz). Single crystal X-ray diffraction of the 2,6-diiodo derivative of the parent C₆-PBTz, showed a disordered hexyl chain and …

Photocatalytic Activity: Experimental Features To Report In Heterogeneous Photocatalysis, Md. Ariful Hoque, Marcelo I. Guzman

Chemistry Faculty Publications

Heterogeneous photocatalysis is a prominent area of research with major applications in solar energy conversion, air pollution mitigation, and removal of contaminants from water. A large number of scientific papers related to the photocatalysis field and its environmental applications are published in different journals specializing in materials and nanomaterials. However, many problems exist in the conception of papers by authors unfamiliar with standard characterization methods of photocatalysts as well as with the procedures needed to determine photocatalytic activities based on the determination of “apparent quantum efficiencies” within a wavelength interval or “apparent quantum yields” in the case of using monochromatic …

Magnetoelectric Memory Cells With Domain-Wall-Mediated Switching, Kirill Belashchenko, Oleg Tchernyshyov, Alexey Kovalev, Dmitri Nikonov

Kirill Belashchenko Publications

A magnetoelectric memory cell with domain - wall - mediated switching is implemented using a split gate architecture . The split gate architecture allows a domain wall to be trapped within a magnetoelectric antiferromagnetic ( MEAF ) active layer . An extension of this architecture applies to multiple gate linear arrays that can offer advantages in memory density , programmability , and logic functionality . Applying a small anisotropic in - plane shear strain to the MEAF can block domain wall precession to improve reliability and speed of switching

No2- And No3- Enhance Cold Atmospheric Plasma Induced Cancer Cell Death By Generation Of Onoo-, Dehui Xu, Qingjie Cui, Yujing Xu, Zhijie Liu, Zeyu Chen, Wenjie Xia, Hao Zhang, Dingxin Liu, Hailan Chen, Michael G. Kong

Bioelectrics Publications

Cold atmospheric plasma (CAP) is a rapidly developed technology that has been widely applied in biomedicine especially in cancer treatment. Due to the generation of various active species in plasma, CAP could induce various tumor cells death and showed a promising potential in cancer therapy. To enhance the biological effects of gas plasma, changing the discharging parameters is the most commonly used method, yet increasing discharging power will lead to a higher possibility of simultaneously damage surrounding tissues. In this study, by adding nontoxic concentration of additional nitrite and nitrate in the medium, we found that anti-tumor effect of CAP …

Current-Driven Production Of Vortex-Antivortex Pairs In Planar Josephson Junction Arrays And Phase Cracks In Long-Range Order, Francisco Estellés-Duart, Miguel Ortuño, Andrés M. Somoza, Valerii M. Vinokur, Alex Gurevich

Physics Faculty Publications

Proliferation of topological defects like vortices and dislocations plays a key role in the physics of systems with long-range order, particularly, superconductivity and superfluidity in thin films, plasticity of solids, and melting of atomic monolayers. Topological defects are characterized by their topological charge reflecting fundamental symmetries and conservation laws of the system. Conservation of topological charge manifests itself in extreme stability of static topological defects because destruction of a single defect requires overcoming a huge energy barrier proportional to the system size. However, the stability of driven topological defects remains largely unexplored. Here we address this issue and investigate numerically …

Exploring The Structural Transformation Mechanism Of Chinese And Thailand Silk Fibroin Fibers And Formic-Acid Fabricated Silk Films, Qichun Liu, Fang Wang, Zhenggui Gu, Qingyu Ma, Xiao Hu

Faculty Scholarship for the College of Science & Mathematics

Silk fibroin (SF) is a protein polymer derived from insects, which has unique mechanical properties and tunable biodegradation rate due to its variable structures. Here, the variability of structural, thermal, and mechanical properties of two domesticated silk films (Chinese and Thailand B. Mori) regenerated from formic acid solution, as well as their original fibers, were compared and investigated using dynamic mechanical analysis (DMA) and Fourier transform infrared spectrometry (FTIR). Four relaxation events appeared clearly during the temperature region of 25 °C to 280 °C in DMA curves, and their disorder degree (fdis) and glass transition temperature (Tg) were predicted using …