Physical Sciences and Mathematics Commons^™

Static And Dynamical Properties Of Multiferroics, Sayed Omid Sayedaghaee

Graduate Theses and Dissertations

Since the silicon industrial revolution in the 1950s, a lot of effort was dedicated to the research and development activities focused on material and solid-state sciences. As a result, several cutting-edge technologies are emerging including the applications of functional materials in the design and enhancement of novel devices such as sensors, highly capable data storage media, actuators, transducers, and several other types of electronic tools. In the last two decades, a class of functional materials known as multiferroics has captured significant attention because of providing a huge potential for new designs due to possessing multiple ferroic order parameters at the …

Characterization Of A Digital Holography Diagnostic For In Situ Erosion Measurement Of Plasma-Facing Components In Fusion Devices, Cary Dean Smith

Doctoral Dissertations

Fusion energy devices, particularly tokamaks, face the challenge of interior surface damage occurring over time from the heat flux of the high-energy plasma they generate. The ability to monitor the rate of surface modification is therefore imperative, but to date no proven technique exists for real-time erosion measurement of planar regions of interest on plasma-facing components in fusion devices. In order to fill this diagnostic gap, a digital holography system has been established at ORNL [Oak Ridge National Laboratory] for the purpose of measuring the erosion effects of plasma-material interaction in situ.

The diagnostic has been designed with the …

Raman Spectroscopic Investigation Of The Speciation Of Uranyl (Vi) And Thorium (Iv) Ions In Chloride-Bearing Aqueous Solutions Under Hydrothermal Conditions, Nadib Akram

MSU Graduate Theses

Raman spectra were acquired for a uranyl chloride aqueous solution at temperatures ranging from 25°C to 500°C at the chloride concentration of 6M and uranium (vi) concentration of 0.05M. The measurements were taken by sealing the sample in a hydrothermal diamond anvil cell (HDAC) which enabled spectra acquisition at non-ambient conditions. The pressure inside the cell was measured by estimating the liquid-vapor homogenization temperature (T_H) and using the isochoric equation of state diagram of water. The acquired spectra were then fitted to determine the speciation distribution of the various uranyl chloride species for the mentioned concentration. The developed …

Practical Adhesion Measurements In Organic Coatings; Advancing Understanding And Mechanical Methods Development, Diana Gottschalk

Dissertations

“Adhesion” can be considered either a mechanical or chemical phenomenon. The mechanical interpretation describes the difficulty of separating surfaces and is useful for quantifying performance within applications that depend on bulk and interfacial properties. Chemical adhesion describes interfacial resistance to chemical attack and does not depend on bulk properties. Predicting chemical failure through mechanical measurement is confounded by the influence of bulk properties. However, the prospect is attractive because of the robust tolerance for sample geometries, allowing experiments to resemble an end-use system. The present work's primary goal was to elevate mechanical methods to provide a detailed interfacial characterization of …

Kinetic Monte Carlo Investigations Involving Atomic Layer Deposition Of Metal-Oxide Thinfilms, David Tyler Magness

MSU Graduate Theses

Atomic Layer Deposition is a method of manufacturing thin film materials. Metal-oxides such as zinc-oxide and aluminum-oxide are particularly interesting candidates for use in microelectronic devices such as tunnel junction barriers, transistors, Schottky diodes, and more. By adopting a 3D Kinetic Monte Carlo model capable of simulating ZnO deposition, the effect of parameters including deposition temperature, chamber pressure, and composition of the initial substrate at the beginning of deposition can be investigated. This code generates two random numbers: One is used to select a chemical reaction to occur from a list of all possible reactions and the second is used …

Synthesis, Characterization, Spectroscopic, And Mesomorphic Studies Of New Schiff Base Ligands And Titanium, Cobalt, Nickel And Copper Metal Centers, Raj K. Gurung

Chemistry & Biochemistry Theses & Dissertations

Transition metal complexes with Schiff base ligands offer a wide application in the field of development of catalysis and material. The straightforward synthesis allowed the structural modification and helped to optimize in various application of such complexes. Titanium-containing complexes have been reported to be important for their catalytic and material applications through the coordination of a tetradentate Schiff base ligand, viz. N, N’-ethylene bis(salicylideneiminate) dianion (salen). Studies reporting the characterization of achiral titanium(IV) salen complexes are scarce due to their intricate nature. Such complexes would be comparatively less expensive and easier to prepare synthetically and thus could represent an …

Developments Of Machine Learning Potentials For Atomistic Simulations, Howard Yanxon

UNLV Theses, Dissertations, Professional Papers, and Capstones

Atomistic modeling methods such as molecular dynamics play important roles in investigating time-dependent physical and chemical processes at the microscopic level. In the simulations, energy and forces, sometimes including stress tensor, need to be recalculated iteratively as the atomic configuration evolves. Consequently, atomistic simulations crucially depend on the accuracy of the underlying potential energy surface. Modern quantum mechanical modeling based on density functional theory can consistently generate an accurate description of the potential energy surface. In most cases, molecular dynamics simulations based on density functional theory suffer from highly demanding computational costs. On the other hand, atomistic simulations based on …

3-D Fabry–Pérot Cavities Sculpted On Fiber Tips Using A Multiphoton Polymerization Process, Jonathan W. Smith, Jeremiah C. Williams, Joseph S. Suelzer, Nicholas G. Usechak, Hengky Chandrahalim

Faculty Publications

This paper presents 3-D Fabry–Pérot (FP) cavities fabricated directly onto cleaved ends of low-loss optical fibers by a two-photon polymerization (2PP) process. This fabrication technique is quick, simple, and inexpensive compared to planar microfabrication processes, which enables rapid prototyping and the ability to adapt to new requirements. These devices also utilize true 3-D design freedom, facilitating the realization of microscale optical elements with challenging geometries. Three different device types were fabricated and evaluated: an unreleased single-cavity device, a released dual-cavity device, and a released hemispherical mirror dual-cavity device. Each iteration improved the quality of the FP cavity's reflection spectrum. The …

Machine Learning Augmentation Micro-Sensors For Smart Device Applications, Mohammad H. Hasan

Department of Mechanical and Materials Engineering: Dissertations, Theses, and Student Research

Novel smart technologies such as wearable devices and unconventional robotics have been enabled by advancements in semiconductor technologies, which have miniaturized the sizes of transistors and sensors. These technologies promise great improvements to public health. However, current computational paradigms are ill-suited for use in novel smart technologies as they fail to meet their strict power and size requirements. In this dissertation, we present two bio-inspired colocalized sensing-and-computing schemes performed at the sensor level: continuous-time recurrent neural networks (CTRNNs) and reservoir computers (RCs). These schemes arise from the nonlinear dynamics of micro-electro-mechanical systems (MEMS), which facilitates computing, and the inherent ability …

Atom Trapping And Its Role On The Nucleation & Growth Of Platinum Nanoparticles, Deepak Kunwar

Chemistry and Chemical Biology ETDs

Diesel oxidation catalysts deactivate due to Pt sintering, a major problem in automotive industries. To make sure they operate effectively throughout the lifetime of the vehicle, automotive industries are putting an excessive amount of Pt. There is a need to develop a catalyst that serves long term performance with minimal use of Pt. Jones et al^.1 demonstrated that ceria traps Pt atoms. His work generated some logical and valid questions such as what is the mechanism for the formation of anomalously large Pt particles? What is the upper limit of Pt metal loading in the form of single atoms …

Proximity-Induced Magnetization In Graphene: Towards Efficient Spin Gating, Mihovil Bosnar, Ivor Lončarić, P. Lazić, Kirill Belashchenko, Igor Žutić

Kirill Belashchenko Publications

Gate-tunable spin-dependent properties could be induced in graphene at room temperature through the magnetic proximity effect by placing it in contact with a metallic ferromagnet. Because strong chemical bonding with the metallic substrate makes gating ineffective, an intervening passivation layer is needed. Previously considered passivation layers result in a large shift of the Dirac point away from the Fermi level, so that unrealistically large gate fields are required to tune the spin polarization in graphene (Gr). We show that a monolayer of Au or Pt used as the passivation layer between Co and graphene brings the Dirac point closer to …

Conversion From Metal Oxide To Mof Thin Films As A Platform Of Chemical Sensing, Meng Chen

USF Tampa Graduate Theses and Dissertations

Chemical sensor is working as a widely used device which can be applied to the detection of specific chemicals that are existing in the environment especially in gas phase. The detection of combustible and toxic chemicals can be extremely important in the field of both industrial and civil activities. The chemical sensor is commonly operating by utilizing a chemical or physical interaction between the specific chemical compound and the sensing functional unit, to obtain an electronic signal caused by the property change and realize the chemical detection. Traditional chemical gas sensors such as catalytic gas sensor, thermal conductivity gas sensor, …

Ensemble Labeling Towards Scientific Information Extraction (Elsie), Erin Murphy

College of Computing and Digital Media Dissertations

Extracting scientific facts from unstructured text is difficult due to challenges specific to the ambiguity of the language, the complexity of the scientific named entities and relations to be extracted. This problem is well illustrated through the extraction of polymer names and their properties. Even in the cases where the property is a temperature, identifying the polymer name associated with the temperature may require expertise due to the use of acronyms, synonyms, complicated naming conventions and by the fact that new polymer names are being “introduced” to the vernacular as polymer science advances. While there exist domain-specific machine learning toolkits …

Laser-Induced Modifications In Two-Dimensional Materials, Tariq Afaneh

USF Tampa Graduate Theses and Dissertations

Atomically thin two-dimensional (2D) materials have attracted a growing interest in the lastdecade from the fundamental point of view as well as their potential applications in functional devices. Due to their high surface-to-volume ratio, the physical properties of 2D materials are very sensitive to the environmental factor such as surrounding media and illumination conditions (e.g. light-mater interaction). In the first part of this dissertation I will present recent advances in developing laser-assisted methods to tune the physical properties of 2D transition metal dichalcogenides (TMDs). We demonstrate laser-assisted chemical modification ultrathin TMDs, locally replacing selenium by sulfur atoms. The photo-conversion process …

Detection Of Uncompensated Magnetization At The Interface Of An Epitaxial Antiferromagnetic Insulator, Pavel N. Lapa, Min Han Lee, Igor V. Roshchin, Kirill Belashchenko, Ivan K. Schuller

Kirill Belashchenko Publications

We have probed directly the temperature and magnetic field dependence of pinned uncompensated magnetization at the interface of antiferromagnetic FeF₂ with Cu, using FeF₂-Cu-Co spin valves. Electrons polarized by the Co layer are scattered by the pinned uncompensated moments at the FeF₂-Cu interface giving rise to giant magnetoresistance. We determined the direction and magnitude of the pinned uncompensated magnetization at different magnetic fields and temperatures using the angular dependencies of resistance. The strong FeF₂ anisotropy pins the uncompensated magnetization along the easy axis independent of the cooling field orientation. Most interestingly, magnetic fields as …

Organic-Inorganic Halide Perovskite Nanocrystals And Solar Cells, Rui Guo

FIU Electronic Theses and Dissertations

A great challenge facing humanity in the 21^st century is finding inexhaustible and inexpensive energy sources to power the planet. Renewable energies are the best solutions because of their abundance, diversity, and pollution-free emission. Solar energy is the cleanest and most abundant renewable energy source available. In the continuing quest for efficient and low-cost solar cells, perovskite solar cells (PSCs) have emerged as a potential replacement for silicon solar cells. Since 2009, the record efficiencies of PSCs have been skyrocketing from 3.8 % to 25.2 % and are now approaching the theoretical limit. Along with the three-dimensional perovskites used …

Sustainable Non-Noble Metal Based Catalysts For High Performance Oxygen Electrocatalysis, Swetha Ramani

USF Tampa Graduate Theses and Dissertations

Current energy crisis has dramatically shifted the focus of technological advancements towards clean and renewable forms of energy. Continued dependence and utilization of fossil fuels has created global awareness on harmful greenhouse gas emissions and climate change. A need for sustainable technology has gained a lot of significance in the recent years. This has led to the development of devices and technologies that rely on environmentally friendly electrochemical conversion and storage of energy. One such advancement that generates electrical energy from chemical reactions is known as fuel cell technology. While fuel cells have demonstrated potential in replacing the conventional technologies …

Reinvestigation Of The Intrinsic Magnetic Properties Of (Fe1-Xcox)2b Alloys And Crystallization Behavior Of Ribbons, Tej Nath Lamichhane, Olena Palasyuk, Vladimir P. Antropov, Ivan A. Zhuravlev, Kirill Belashchenko, Ikenna C. Nlebedim, Kevin W. Dennis, Anton Jesche, Matthew J. Kramer, Sergey L. Bud'ko, R. William Mccallum, Paul C. Canfield, Valentin Taufour

Kirill Belashchenko Publications

New determination of the magnetic anisotropy from single crystals of (Fe_1-xCo_x)2B alloys are presented. The anomalous temperature dependence of the anisotropy constant is discussed using the standard Callen-Callen theory, which is shown to be insufficient to explain the experimental results. A more material specific study using first-principles calculations with disordered moments approach gives a much more consistent interpretation of the experimental data. Since the intrinsic properties of the alloys with x=0.3-0.35 are promising for permanent magnets applications, initial investigation of the extrinsic properties are described, in particular the crystallization of melt spun ribbons with Cu, Al, …

Licoo2 As Sulfur Host To Enhance Cathode Volumetric Capacity For Lithium-Sulfur Battery, Lu Wang, Xue-Ping Gao

Journal of Electrochemistry

Lithium-sulfur battery is one of the most promising secondary battery systems due to its super high theoretical gravimetric and volumetric energy densities (2600 Wh·kg-1 and 2800 Wh·L-1, respectively). However, the practical volumetric capacity of sulfur cathode is still unsatisfied due to the overuse of low-density host materials, such as carbon nanomaterials. Herein, commercial LiCoO₂ with the high tap density of 2.94 g·cm-3 was used as the host material to build high density sulfur-based composite and compact electrode for increasing the volumetric capacity. Obviously, the tap density of the as-prepared S/LiCoO₂ composite was 1.90 g·cm-3, larger than that of …

Research Progress Of Key Components In Lithium-Sulfur Batteries, Jia-Jia Chen, Quan-Feng Dong

Journal of Electrochemistry

Due to the much higher theoretical specific capacity and energy density than the ones of traditional lithium ion battery, Li-S batteries have long been at the pinnacle in the realms of high-energy Li-metal batteries. However, the complicated electrochemical reactions on the sulfur cathode and Li anode, induced by the thermodynamic and kinetic behaviors of lithium polysulfides, are the intrinsic bottleneck to realize the full potential of Li-S batteries for practical application. In this review, we firstly discuss the roles, and thermodynamic and kinetic behaviors of polysulfides in the charging and discharging processes of Li-S batteries. Then, the functional design and …

Facile Synthesis Of Nitrogen-Doped Graphene-Like Active Carbon Materials For High Performance Lithium-Sulfur Battery, Quan-Hua Meng, Wen-Wen Deng, Chang-Ming Li

Journal of Electrochemistry

Lithium-sulphur (Li-S) battery is regarded as a promising energy storage device because of its high theoretical capacity. However, the low S utilization and short cycling life limit the commercial applications. In this work, nitrogen-doped graphene-like carbon (NGC) materials were synthesized by simply pyrolyzing and carbonizing the mixture of melamine (C₃H₆N₆) and L-cysteine (C₃H₇NO₂S). The graphene-like structure in NGC effectively buffered the volume change of S during the discharge/charge process and improved the cycling stability. Meanwhile, nitrogen-containing functional groups in NGC facilitated the transportation of ions and suppressed the …

Highly Efficient Co2 Utilization Via Molten Salt Co2 Capture And Electrochemical Transformation Technology, Bo-Wen Deng, Hua-Yi Yin, Di-Hua Wang

Journal of Electrochemistry

The molten electrolytes exhibit high CO₂ absorption capacities, wide electrochemical windows and excellent reaction kinetics, which are promising electrolyte candidates for efficient capture and electrochemical conversion of high-flux CO₂ driven by renewable and clean electricity sources. This short review introduces the recent advancements of CO₂ electroreduction achieved by the authors using molten salt CO₂ capture and electrochemical transformation (MSCC-ET) technology, involving CO₂ absorption kinetics, cathodic kinetics, controllable synthesis of carbon products with unique nanostructures, development of inert oxygen evolution anodes and CO₂ conversion efficiency as well as energy efficiency. The challenges and prospects are …

Progress And Prospects On Multifunctional Coating Separators For Lithium-Sulfur Battery, Zhuang-Zhuang Wei, Nan-Xiang Zhang, Feng Wu, Ren-Jie Chen

Journal of Electrochemistry

The development of advanced energy storage systems is crucial to meet the growing demand for electric vehicles, portable devices and renewable energy storage. Lithium-sulfur (Li-S) batteries, with their advantages of high specific energy, low cost of raw materials and environmental friendliness, are hotspots in the research field of new high performance batteries. However, there are still many problems which hinder the practical applications of lithium-sulfur batteries, such as the shuttle effect of soluble polysulfide intermediates, the growth of lithium dendrites, and the thermal stability and safety of lithium-sulfur batteries during use. The design of multifunctional coating separator is one of …

Electrochemical Engineering Of Carbon Nanodots, Lei Bao, Dai-Wen Pang

Journal of Electrochemistry

Carbon nanodots (CNDs), as zero-dimensional carbonaceous fluorescent nanomaterials, are valuable add-ons to the current cohorts of fluorescent nanoparticles. The fine control over the size and the surface is the key to gain designated photophysical properties of CNDs as well as empowers CNDs in many applications. Herein, a series of electrochemical strategies to manipulate the size and the surface of CNDs and to identify the surface structures was presented. Accordingly, the understandings on the originals of photoluminescence as well as the pathways of electrochemiluminescence of CNDs were revealed. These studies demonstrated that electrochemical methods were easy to operate, cost-effective and efficient …

Research Progress Of Sulfur Cathode Catalytic Conversions For Lithium-Sulfur Batteries, Qin-Jun Shao, Jian Chen

Journal of Electrochemistry

The electrochemical reduction of sulfur (S) takes place through multistep reactions when S is used as a cathode material. The complete discharge of S to form final product lithium sulfide (Li₂S) is a two-electron reaction. The formation of low-order lithium polysulfides (LiPS) needs to overcome certain energy barriers. And the reduction of Li₂S₂ to Li₂S is the rate-limited step. The reaction kinetic of sulfur cathode is the critical key to determine the electrochemical performance of Li-S batteries, such as specific energy, specific power and low temperature performance, etc. Accelerating the rate-limited step kinetics …

A Model For The Anodic Carbonization Of Alkaline Polymer Electrolyte Fuel Cells, Qi-Hao Li, Ying-Ming Wang, Hua-Long Ma, Li Xiao, Gong-Wei Wang, Jun-Tao Lu, Lin Zhuang

Journal of Electrochemistry

The alkaline polymer electrolyte fuel cell (APEFC) has made appreciable progress in recent years but is still suffering performance loss during discharge with air as the oxidant. Several theories have been suggested to interpret the loss. However, efforts are still needed to reach a clear quantitative understanding. Based on the major experimental findings in combination with thermodynamics and kinetics of the reactions involved in the anode, this paper presents a model featuring layered carbonization in the anode and relevant grouped equations. The simulation results generated from the latter are compared with experiments, and possible principles to suppress the performance loss …

Porous-Electrode Theory Of Lithium Ion Battery: Old Paradigm And New Challenge, Xiao-Xiao Wang, Zi-Rui Zhou, Qiang Shan, Zeng-Ming Zhang, Jun Huang, Yu-Wen Liu, Sheng-Li Chen

Journal of Electrochemistry

A critical review on the porous electrode theory developed by Newman and his colleagues is presented. We propose several ideas for further development of this theory by analyzing its limitations. The classical Newman theory does not consider ion steric effect in describing ion transport in electrolyte solutions, which can be amended by a newly developed ion-vacancy coupled charge transfer model for ion transport in concentrated solutions. Ion transport in solid particles of active materials is essentially an ion-electron coupled transport process, and its rationality is verified by comparing the calculated and experimental diffusion coefficients of Li + ion in intercalation …

Liquid Metal Electrodes For Electrochemical Energy Storage Technologies, Hao-Miao Li, Hao Zhou, Kang-Li Wang, Kai Jiang

Journal of Electrochemistry

Electrochemical energy storage technologies (ESTs) with low cost, long lifespan and high safety are of great importance for efficient integration of renewable energy into the grid. Liquid metal electrodes (LMEs) possessing the merits of high electronic conductivity, easy manufacture and amorphous structure is of great application value in the field of energy storage batteries. During charge-discharge processing, the LMEs could avoid the issues of structural deformation and dendrite growth in solid metal electrodes, which could effectively extend the cycle life of the LME based batteries. Moreover, LME based batteries are easy to be scaled up and less expensive, which are …

Porous Electrodes In Electrochemical Energy Storage Systems, Wei-Xiao Ji, Gong-Wei Wang, Qiang Wang, Li-Jun Bai, De-Yang Qu

Journal of Electrochemistry

Professor C.S. Cha was among the pioneers who have introduced modern electrochemistry to China. Under his leadership, the electrochemical research group in Wuhan University became one of the global powerhouses in fundamental and applied electrochemical researches. During the past many decades, Professor Cha and his colleagues in the university have educated and trained many students who have become part of the backbone of electrochemistry worldwide. In this review, we demonstrate the solid foundation laid by Professor Cha and his colleagues in Wuhan University, and the advancements made in the area of porous electrodes by the authors. All the authors in …

Comparative Study Of Silk-Based Magnetic Materials: Effect Of Magnetic Particle Types On The Protein Structure And Biomaterial Properties., Ye Xue, Samuel Lofland, Xiao Hu

Faculty Scholarship for the College of Science & Mathematics

This study investigates combining the good biocompatibility and flexibility of silk protein with three types of widely used magnetic nanoparticles to comparatively explore their structures, properties and potential applications in the sustainability and biomaterial fields. The secondary structure of silk protein was quantitatively studied by infrared spectroscopy. It was found that magnetite (Fe3O4) and barium hexaferrite (BaFe12O19) can prohibit β-sheet crystal due to strong coordination bonding between Fe3+ ions and carboxylate ions on silk fibroin chains where cobalt particles showed minimal effect. This was confirmed by thermal analysis, where a high temperature degradation peak was found above 640 °C in …