Nanoscience and Nanotechnology Commons^™

Application Of Multi-Scale Computational Techniques To Complex Materials Systems, Mujan N. Seif

Theses and Dissertations--Chemical and Materials Engineering

The applications of computational materials science are ever-increasing, connecting fields far beyond traditional subfields in materials science. This dissertation demonstrates the broad scope of multi-scale computational techniques by investigating multiple unrelated complex material systems, namely scandate thermionic cathodes and the metallic foam component of micrometeoroid and orbital debris (MMOD) shielding. Sc-containing "scandate" cathodes have been widely reported to exhibit superior properties compared to previous thermionic cathodes; however, knowledge of their precise operating mechanism remains elusive. Here, quantum mechanical calculations were utilized to map the phase space of stable, highly-faceted and chemically-complex W nanoparticles, accounting for both finite temperature and chemical …

Electrolyte Synthesis And Engineering For Alkali Metal Batteries, Yiwen Zhang

Dartmouth College Ph.D Dissertations

Batteries have been in increasing demand over the last decade for portable electronic devices, electric vehicles, and grid-scale energy storage systems. While the electrode materials define the characteristic features of a battery system, the composition of the electrolyte is of critical importance and needs to be engineered for different battery systems to ensure superior electrochemical performance. In this thesis, the basic functionality and fundamental mechanism of the electrolytes in battery systems are first introduced. Then, three major electrolyte engineering strategies are demonstrated, including electrolyte composition formulation, electrolyte-electrode component modification, and function-oriented electrolyte design. Firstly, the low-temperature capacity restraint of lithium …

Development Of High Kinetic Inductance Superconducting Nanowire Devices On High Permittivity Strontium Titanate Substrates, Jamie Timmons

UNF Graduate Theses and Dissertations

This thesis involves the fabrication and characterization of devices made from two different superconducting materials: yttrium barium copper oxide (YBCO), a high-TC complex oxide, and niobium nitride (NbN), a low-TC transition metal nitride. Both types of devices are fabricated on strontium titanate substrates, which provides a good lattice match to YBCO and also an extremely large permittivity at low temperature. We demonstrate that wet etching of YBCO thin films via bromine can be a viable microfrabriation technique for the material. Using approximately 35 nm thick epitaxially grown YBCO on an STO substrate, we were able to fabricate YBCO “microwires” with …

Superheating Field In Superconductors With Nanostructured Surfaces, W. P. M. R. Pathirana, A. Gurevich

Physics Faculty Publications

We report calculations of a dc superheating field H_sh in superconductors with nanostructured surfaces. Numerical simulations of the Ginzburg-Landau (GL) equations were performed for a superconductor with an inhomogeneous impurity concentration, a thin superconducting layer on top of another superconductor, and superconductor-insulator-superconductor (S-I-S) multilayers.The superheating field was calculated taking into account the instability of the Meissner state with a nonzero wavelength along the surface, which is essential for realistic values of the GL parameter κ. Simulations were done for the materials parameters of Nb and Nb₃Sn at different values of κ and the mean free paths. We …

Synthesis Of Quasi-Freestanding Graphene Films Using Radical Species Formed In Cold Plasmas, Michael A. Mathews Jr.

Graduate Theses, Dissertations, and Problem Reports (ETD)

For over a decade, the Stinespring laboratory has investigated scalable, plasma assisted synthesis (PAS) methods for the growth of graphene films on silicon carbide (SiC). These typically utilized CF₄-based inductively coupled plasma (ICP) with reactive ion etching (RIE) to selectively etch silicon from the SiC lattice. This yielded a halogenated carbon-rich surface layer which was then annealed to produce the graphene layers. The thickness of the films was controlled by the plasma parameters, and overall, the process was readily scalable to the diameter of the SiC wafer.

The PAS process reproducibly yielded two- to three-layer thick graphene films …

Carrier Transport Engineering In Wide Bandgap Semiconductors For Photonic And Memory Device Applications, Ravi Teja Velpula

Dissertations

Wide bandgap (WBG) semiconductors play a crucial role in the current solid-state lighting technology. The AlGaN compound semiconductor is widely used for ultraviolet (UV) light-emitting diodes (LEDs), however, the efficiency of these LEDs is largely in a single-digit percentage range due to several factors. Until recently, AlInN alloy has been relatively unexplored, though it holds potential for light-emitters operating in the visible and UV regions. In this dissertation, the first axial AlInN core-shell nanowire UV LEDs operating in the UV-A and UV-B regions with an internal quantum efficiency (IQE) of 52% are demonstrated. Moreover, the light extraction efficiency of this …

Faceted Nanomaterial Synthesis, Characterizations And Applications In Reactive Electrochemical Membrane Filtration, Qingquan Ma

Dissertations

Facet engineering of nanomaterials, especially metals and metal oxides has become an important strategy for tuning catalytic properties and functions from heterogeneous catalysis to electrochemical catalysis, photocatalysis, biomedicine, fuel cells, and gas sensors. The catalytic properties are highly related to the surface electronic structures, surface electron transport characteristics, and active center structures of catalysts, which can be tailored by surface facet control. The aim of this doctoral dissertation research is to study the facet-dependent properties of metal or metal oxide nanoparticles using multiple advanced characterization techniques. Specifically, the novel atomic force microscope-scanning electrochemical microscope (AFM-SECM) and density functional theory (DFT) …

Amphiphilic Block Copolymers And The Applications In Therapeutics Delivery, Jie Dou

Dissertations

Well-defined thermo-responsive triblock copolymers containing polyethylene oxide (PEO) and poly(N-isopropyl acrylamide) PNIPAM are synthesized by a type of living controlled polymerization, named iniferter polymerization. The polymers are amphiphilic in nature and are self-assembled into a micelle. Their properties and application are characterized and investigated in this work.

Foremost, the initiator of the polymerization (iniferter) is designed and synthesized by condensation polymerization, where PEO is incorporated into the structure to improve biocompatibility, which has great potential for biological application. Moreover, this iniferter reagent could be applied to more than 70 percent of vinyl monomers.

NIPAM, a commercial vinyl monomer, is chosen …

Carbon-Al Interface Effect On The Performance Of Ionic Liquid-Based Supercapacitor At 3 V And 65 OC, Zhen-Zhen Ye, Shu-Ting Zhang, Xin-Qi Chen, Jin Wang, Ying Jin, Chao-Jie Cui, Lei Zhang, Lu-Ming Qian, Gang Zhang, Wei-Zhong Qian

Journal of Electrochemistry

Ionic liquid (IL) electrolyte-based supercapacitors (SCs) have advantages of high operating voltage window, high energy density and nonflammability, as compared to conventional acetonitrile-based organic electrolyte SCs, and are typically suitable for the large-scale energy storage in the era of carbon neutrality full of renewable, but unstable electricity. However, current efforts were concentrated on the study with coin-cell type of IL-SCs, and less has been reported on the pouch type of IL-SCs for a long cycling time yet. To fabricate a reliable SC for the life time test or for the accelerated aging test under high temperature, one should concern the …

A Review On Nanomaterials And Nanohybrids Based Bio-Nanocomposites For Food Packaging, Kalpani Y. Perera, Amit K. Jaiswal, Swarna Jaiswal

Articles

With an increasing demand for a novel, eco-friendly, high-performance packaging material “bio-nanocomposites” has attracted great attention in recent years. The review article aims at to evaluating recent innovation in bio-nanocomposites for food packaging applications. The current trends and research over the last three years of the various bio-nanocomposites including inorganic, organic nanomaterials, and nanohybrids, which are suitable as food packaging materials due to their advanced properties such as high mechanical, thermal, barrier, antimicrobial, and antioxidant are described in detail. In addition, the legislation, migration studies, and SWOT analysis on bio-nanocomposite film have been discussed. It has been observed that the …

Phase-Averaged, Frequency Dependence Of Jet Dynamics In A Scaled Up Vocal Fold Model With Full And Incomplete Closure, Nathaniel Wei, Abigail Haworth, Hunter Ringenberg, Michael Krane, Timothy Wei

Department of Mechanical and Materials Engineering: Faculty Publications

This study focuses on frequency dependence effects on glottal jet dynamics with a focus on the physiological condition in which the vocal folds do not fully close. Incomplete closure occurs naturally in children and adult females. But there are also pathological conditions that can be problematic. Experiments were conducted using a 10× scaled-up model in a free surface water tunnel. Two-dimensional vocal fold models with semicircular medial surfaces were stepper motor driven inside a square duct with constant opening and closing speeds. Cases with complete vocal fold closure and incomplete closure to only 15% of the maximum gap were examined. …

Sars-Cov-2 Detecting Rapid Metasurface-Based Sensor, Shobhit K. Patel, Jaymit Surve, Juveriya Parmar, Khaled Aliqab, Meshari Alsharari, Ammar Armghan

Department of Mechanical and Materials Engineering: Faculty Publications

We have proposed a novel approach to detect COVID-19 by detecting the ethyl butanoate which high volume ratio is present in the exhaled breath of a COVID-19 infected person. We have employed a refractive index sensor (RIS) with the help of a metasurface-based slotted T-shape perfect absorber that can detect ethyl butanoate present in exhaled breath of COVID-19 infected person with high sensitivity and in-process SARS-CoV-2. The optimized structure of the sensor is obtained by varying several structure parameters including structure length and thickness, slotted T-shape resonator length, width, and thickness. Sensor’s performance is evaluated based on numerous factors comprising …

Void-Semiconductor Gaas Photonic Crystal Surface-Emitting Lasers By Epitaxial Regrowth And Single-Epitaxy Methods, Kevin James Reilly

Nanoscience and Microsystems ETDs

Monolithic semiconductor lasers including edge-emitting lasers (EELs) and vertical-cavity surface-emitting lasers (VCSELs) fail to realize simultaneous achievement of both high-power high-quality beams due to intrinsic limitations of their resonant cavity. Photonic crystal surface emitting lasers (PCSELs) address these structural limitations through employment of a two-dimensional photonic crystal (PC) cavity that creates feedback at a single wavelength for laterally scalable devices. This function of the PC allows PCSELs to power scale with area while maintaining single-mode emission required for diffraction-limited beams. In this way, PCSELs fulfill an industry demand for high-power high-quality lasing from a single chip.

Early PCSELs were fabricated …

Fabrication, Characterization, And Simulation Of Graphene-Copper Electrical Conductors, Raju Prasad Ghimire

Nanoscience and Microsystems ETDs

The addition of nanocarbons to copper (Cu), specifically in the form of graphene (GN), has been shown to enhance copper's properties. GN-Cu nanocomposites can potentially achieve higher electrical, mechanical, and thermal properties compared with copper. These characteristics make GN-Cu materials interesting for several applications including but not limited to interconnects, high voltage lines, and rotating machines. Copper’s microstructure and nanoscale interfacial phenomena between the GN and Cu control charge conduction in GN-Cu materials. In this work, we investigated the possibilities of conductivity enhancement in multi-layered GN-Cu composites both theoretically (classical, quantum, and atomistic models) and experimentally.

Additionally, our work elucidates …

Six-Dimensional Single-Molecule Imaging With Isotropic Resolution Using A Multi-View Reflector Microscope, Oumeng Zhang, Zijian Guo, Yuanyuan He, Tingting Wu, Michael D. Vahey, Matthew D. Lew

Electrical & Systems Engineering Publications and Presentations

Imaging of both the positions and orientations of single fluorophores, termed single-molecule orientation-localization microscopy, is a powerful tool for the study of biochemical processes. However, the limited photon budget associated with single-molecule fluorescence makes high-dimensional imaging with isotropic, nanoscale spatial resolution a formidable challenge. Here we realize a radially and azimuthally polarized multi-view reflector (raMVR) microscope for the imaging of the three-dimensional (3D) positions and 3D orientations of single molecules, with precisions of 10.9 nm and 2.0° over a 1.5-μm depth range. The raMVR microscope achieves 6D super-resolution imaging of Nile red molecules transiently bound to lipid-coated spheres, accurately resolving …

Nanoscale Imaging Of Antiferromagnetic Domains In Epitaxial Films Of Cr2O3 Via Scanning Diamond Magnetic Probe Microscopy, Adam Erickson, Syed Qamar Abbas Shah, Ather Mahmood, Ilja Fescenko, Christian H. Binek, Adbelghani Laraoui

Department of Mechanical and Materials Engineering: Faculty Publications

We report direct imaging of boundary magnetization associated with antiferromagnetic domains in magnetoelectric epitaxial Cr₂O₃ thin films using diamond nitrogen vacancy microscopy. We found a correlation between magnetic domain size and structural grain size which we associate with the domain formation process. We performed field cooling, i.e., cooling from above to below the Néel temperature in the presence of a magnetic field, which resulted in the selection of one of the two otherwise degenerate 180° domains. Lifting of such a degeneracy is achievable with a magnetic field alone due to the Zeeman energy of a weak …

In-Situ Tribology Of Engineered Surfaces With 3d-Printed Micro/Nano-Textures, Mahyar Afshar Mohajer

Graduate Theses and Dissertations

Surface texturing is an effective way to reduce the adhesion and friction between two contacting surfaces by reducing the real area of contact between them, providing a potential solution for adhesion and friction-induced failures, for example, failures in micro-/nano-electromechanical systems (MEMS/NEMS). Surface texturing is also essential to the realization of functional surfaces such as superhydrophobic/philic and icephobic surfaces. However, textures are prone to deformation due to being subjected to higher contact pressures. The advancement of 3D nanoprinting by two-photon lithography (TPL), combined with the ability to make an in-situ observation of the interplay between the forces and the sliding surfaces …

Development Of Nucleic Acid Diagnostics For Targeted And Non-Targeted Biosensing, Christopher William Smith

Legacy Theses & Dissertations (2009 - 2024)

The field of nucleic acid technology is rapidly expanding with new impactful discoveriesbeing made each year. Starting from the discovery of the double-helix structure, cloning, gene editing, polymerase chain reaction (PCR), CRISPR technology, and even the late mRNA vaccines; nucleic acid technology is at the forefront of improving medicine. Nucleic acid technology is extremely versatile due to its easy programmability, automated cheap synthesis, and even its catalog for numerous chemical modifications that can be used to alter structure stability. For example, the number of permutations that can be made with DNA just by altering the code for adenine (A), cytosine …

Achieving Safe Use Of Advanced Materials In Drinking Water Through Novel Nano Analytics And Enabling Electrification Using Green Catalyst, Kenneth Ray Flores

Open Access Theses & Dissertations

The accumulation of engineered nanomaterials (ENMs) in environmental sectors will continue to increase as more applications are discovered for their unique properties and characteristics. Additionally, the presence of nanomaterials in the environment becomes exacerbated as more consumer products containing nanoparticles are approved for use. It is debated whether the toxic effects of nanoparticles stem from the particles themselves, ionic species, or formation of secondary particles. Therefore, understanding the behavior of nanoparticles in the environment becomes key to discerning the toxicological effects of nanoparticles. Many advancements have been made with ICP-MS to understand the behavior of nanoparticles in the environmental systems, …

Nano-Engineered Soft Magnets: Potential Application In Water Treatment, Hyperthermia And Molecular (Organic) Magnets, Yohannes Weldemariam Getahun

Open Access Theses & Dissertations

Scrutinizing the remarkable and tunable properties of magnetic materials at a nanoscale size "There's Plenty of Room at the Bottom..." Richard Feynman, this study attempts to find sustainable solutions to some of the deteriorating environmental, health, and energy problems the world is encountering. Due to their simple preparation, surface adaptability, and tunable magnetic and optical properties, magnetic nanoparticles have been extensively investigated in water treatment, cancer therapy, data storage, and more. However, relying on non-reusable and chemical-based treatment agents in water, complex and costly cancer treatment procedures and molecular magnets that operate far below room temperature limited those attempts from …

Fabrication And Characterization Of Iron-Based Catalysts For The Dehydrogenation Of Fossil Fuels, Victoria Isabel Reyes

Open Access Theses & Dissertations

For a prosperous and sustainable future, hydrogen is an encouraging solution due to its simple transition for industrial decarbonization and synergy for economic development. Paradoxically, current hydrogen production pathways release substantial amount of greenhouse gases into the atmosphere contributing to climate change. To keep up with increasing demand, hydrogen could be produced through microwave-assisted thermocatalytic dehydrogenation of fossil fuels without emitting carbon dioxide. This requires specified catalysts to meet the requirements of hydrogen yield and selectivity. The objective of the present research is to fabricate, characterize, and compare iron-based alumina (FeAl_x O_y) catalysts produced via solution combustion synthesis and iron-based …

High Throughput And Highly Controllable Methods For In Vitro Intracellular Delivery, Justin Brooks, Grayson Minnick, Prithvijit Mukherjee, Arian Jaberi, Lingqian Chang, Horacio D. Espinosa, Ruiguo Yang

Department of Mechanical and Materials Engineering: Faculty Publications

In vitro and ex vivo intracellular delivery methods hold the key for releasing the full potential of tissue engineering, drug development, and many other applications. In recent years, there has been significant progress in the design and implementation of intracellular delivery systems capable of delivery at the same scale as viral transfection and bulk electroporation but offering fewer adverse outcomes. This review strives to examine a variety of methods for in vitro and ex vivo intracellular delivery such as flow-through microfluidics, engineered substrates, and automated probe-based systems from the perspective of throughput and control. Special attention is paid to a …

Carbon Fibers From Bio-Based Precursors Derived From Renewable Sources, Sagar Kanhere

All Dissertations

Carbon fibers have the highest strength and modulus among all known fibers and are used as reinforcements in high-performance composites [1]. Carbon fibers also have a very low density relative to metals. Therefore, carbon fibers possess ultrahigh specific strength and modulus, which make them desirable for high-performance light-weight composites. A vast majority of commercial carbon fibers are produced from PAN precursors that are expensive, which limits the use of PAN-derived carbon fibers to aerospace applications (e.g., airplanes). However, for costsensitive applications, there is a need for low-cost, moderate performance carbon fibers. Lignin is a low-cost by-product of pulping and biorefining …

Gate-Controlled Quantum Dots In Two-Dimensional Tungsten Diselenide And One-Dimensional Tellurium Nanowires, Shiva Davari Dolatabadi

Graduate Theses and Dissertations

This work focuses on the investigation of gate-defined quantum dots in two-dimensional transition metal dichalcogenide tungsten diselenide (WSe2) as a means to unravel mesoscopic physical phenomena such as valley-contrasting physics in WSe2 flakes and its potential application as qubit, as well as realizing gate-controlled quantum dots based on elementaltellurium nanostructures which may unlock the topological nature of the host material carriers such as Weyl states in tellurium nanowires.The fabrication and characterization of gate-defined hole quantum dots in monolayer and bilayer WSe2 are reported. The gate electrodes in the device design are located above and below the WSe2 nanoflakes to accumulate …

Characterization Of Materials Properties In Additively Manufactured Aisi-420 Martensitic Steel Deposited By Laser Engineered Net Shaping, Md Mehadi Hassan

Nanoscience and Microsystems ETDs

Metal additive manufacturing (AM) is a disruptive technology enabling the fabrication of complex and near-net-shaped parts by adding material layer-wise. It offers reduced lead production time. AM processes are finding applications in many industrial sectors such as aerospace, automotive, biomedical, and mold tooling. Despite the tremendous advantages of AM, some challenges still prevent this technology's adoption in high-standard applications. Anisotropy and inhomogeneity in the mechanical properties of the as-built parts and the existence of pores and lack-of-fusion defects are considered the main issues in directed energy deposition (L-DED) parts. Laser-engineered net shaping LENS® offers excellent possibilities to fabricate metal tools …

Efects Of Non‑Newtonian Viscosity On Arterial And Venous Fow And Transport, Sabrina Lynch, Nitesh Nama, C Alberto Figueroa

Department of Mechanical and Materials Engineering: Faculty Publications

It is well known that blood exhibits non-Newtonian viscosity, but it is generally modeled as a Newtonian fluid. However, in situations of low shear rate, the validity of the Newtonian assumption is questionable. In this study, we investigated differences between Newtonian and non-Newtonian hemodynamic metrics such as velocity, vorticity, and wall shear stress. In addition, we investigated cardiovascular transport using two different approaches, Eulerian mass transport and Lagrangian particle tracking. Non-Newtonian solutions revealed important differences in both hemodynamic and transport metrics relative to the Newtonian model. Most notably for the hemodynamic metrics, in-plane velocity and vorticity were consistently larger in …

Efficient Interface Enabled By Nano-Hydroxyapatite@Porous Carbon For Lithium-Sulfur Batteries, Jia-Yu Wang, Xue-Feng Tong, Qi-Fan Peng, Yue-Peng Guan, Wei-Kun Wang, An-Bang Wang, Nai-Qiang Liu, Ya-Qin Huang

Journal of Electrochemistry

The dissolution and “shuttle effect” of lithium polysulfides (LiPSs) hinder the application of lithium-sulfur (Li-S) batteries. To solve those problems, inspired by natural materials, a nano-hydroxyapatite@porous carbon derived from chicken cartilage (nano-HA@CCPC) was fabricated by employing a simple pre-carbonization and carbonization method, and applied in Li-S batteries. The nano-HA@CCPC would provide a reactive interface that allows efficient LiPSs reduction. With a strong affinity for LiPSs and an excellent electronic conductive path for converting LiPSs, the shuttle effect of LiPSs was confined and the redox kinetics of LiPSs was substantially enhanced. Li-S batteries employing nano-HA@CCPC-modified separators exhibited long cycle life and …

Oligomeric Ionic Liquids: Bulk, Interface And Electrochemical Application In Energy Storage, Dan-Dan Li, Xiang-Yu Ji, Ming Chen, Yan-Ru Yang, Xiao-Dong Wang, Guang Feng

Journal of Electrochemistry

Over recent years, oligomer ionic liquids (OILs), a novel class of ionic liquids, are becoming preferential electrolytes for high-performance energy-storage devices, such as supercapacitors with enhanced energy density and non-flammable lithium-ion batteries (LIBs). Herein, structures, properties, and their associations of the up-to-the-minute formulated OILs are systematically summarized and elaborately interpreted, especially for dicationic ionic liquids and tricationic ionic liquids. The physicochemical and electrochemical properties of OIL-based electrolytes are presented and analyzed, which are vitally important for supercapacitors and LIBs. Subsequently, the applications of OILs as electrolytes for supercapacitors and LIBs are summarized, with the comparisons of the energy-storage mechanisms and …

Insight Into The Effects Of Cation Disorder And Surface Chemical Residues On The Initial Coulombic Efficiency Of Layered Oxide Cathode, Jin-Li Liu, Han-Feng Wu, Zhi-Bei Liu, Ying-Qiang Wu, Li Wang, Feng-Li Bei, Xiang-Ming He

Journal of Electrochemistry

Lithium layered oxide LiNi_0.6Co_0.2Mn_0.2O₂ (NCM622) is one of the most promising cathode materials in high-energy lithium-ion batteries for electric vehicles. However, one drawback for NCM622 is that its initial coulombic efficiency (ICE) is only about 87%, which is at least 6% lower than that of LiCoO₂ or LiFePO₄. In this work, we investigated the effects of surface chemical residues (e.g., LiOH and Li₂CO₃) and Li/Ni cation disorder resulted during the sintering on the ICE. We found that the ICE of the as-prepared samples could be boosted …

Enhanced Electron Correlation And Significantly Suppressed Thermal Conductivity In Dirac Nodal-Line Metal Nanowires By Chemical Doping, Amanda L. Coughlin, Zhiliang Pan, Jeonghoon Hong, Tongxie Zhang, Xun Zhan, Wenqian Wu, Dongyue Xie, Tian Tong, Thomas Ruch, Jean J. Heremans, Jiming Bao, Herbert A. Fertig, Jian Wang, Jeongwoo Kim, Hanyu Zhu, Deyu Li, Shixiong Zhang

Department of Mechanical and Materials Engineering: Faculty Publications

Enhancing electron correlation in a weakly interacting topological system has great potential to promote correlated topological states of matter with extraordinary quantum properties. Here, the enhancement of electron correlation in a prototypical topological metal, namely iridium dioxide (IrO₂), via doping with 3d transition metal vanadium is demonstrated. Single-crystalline vanadium-doped IrO₂ nanowires are synthesized through chemical vapor deposition where the nanowire yield and morphology are improved by creating rough surfaces on substrates. Vanadium doping leads to a dramatic decrease in Raman intensity without notable peak broadening, signifying the enhancement of electron correlation. The enhanced electron correlation is further …