Nanoscience and Nanotechnology Commons^™

A Computational Study Of The Chemomechanics Of Paracetamol Polymorphs: Towards Improving Drug Tabletability, Karim Nader Samra

Theses and Dissertations

The mechanical properties of pharmaceutical crystals are of great importance in tablet manufacturing. Also, knowing the mechanical properties of different polymorphs of the same crystal can reduce the overall production cost. In this study, computational work was done via performing density functional theory calculations on 3 paracetamol crystal polymorphs Form I, II, and III. Understanding the chemical bonding helps in predicting the key elastic properties for different crystallographic directions. In Form II, lattice vector C is dominated with the intermolecular hydrogen bond OH…O giving it the stiffest Young Modulus and the least Poisson’s ratio. Then comes the A-Axis which contains …

Iron-Involved Orr Electrocatalysts Under The Lens Of In-Situ/Operando Mössbauer Spectroscopy, Sumbal Farid, Jun-Hu Wang

Journal of Electrochemistry

Exploring cost-effective and efficient catalysts for oxygen reduction reaction (ORR) poses a significant challenge, especially in the pursuit of alternatives to precious metals like platinum. Significant advancements have driven electrochemists to develop efficient ORR catalysts using abundant materials, particularly iron (Fe)-based, known for their exceptional performance in ORR. While the crucial function of Fe in boosting ORR catalytic activity is recognized, the connection between material attributes and catalytic performance remains enigmatic. Understanding the dynamic processes involved in oxygen electrocatalysis is paramount for designing precious-metals-free ORR electrocatalysts. Mössbauer spectroscopy stands out as a powerful technique for deciphering the structural characteristics of …

The Ntp Anode For Aqueous Sodium Ion Batteries: Recent Advances And Future Perspectives, Ming-Li Wang, Xue-Ying Su, Zheng-Xiang Shan, Shu-Zhe Yang, Heng-Rui Guo, Hao Luo, Dong-Liang Chao

Journal of Electrochemistry

Aqueous sodium-ion batteries (ASIBs) have attracted great attention in aqueous batteries due to their merit of high safety. However, the constrained work potential and insufficient chemical stability of anode materials in aqueous electrolytes hinder the large-scale application of ASIBs. Sodium titanium phosphate, NaTi₂(PO₄)₃ (NTP), is considered one of the most promising anode materials for ASIBs due to its excellent electrochemical performance and tunable structure. Recently, great achievements have been made in the development of NTP, however, a comprehensive review of existing studies is still lacking. This article firstly introduces the basic properties of NTP and …

Development Status And Existing Problems Of Ion-Solvation Membranes For Electrolysis Of Water, Zheng-Yuan Zhou, Yu-Tao Sun, Zheng-Bang Liu, Chuan-Zheng Wang, Yong-Nan Zhou, Xi Luo, Tian-Chi Zhou, Jin-Li Qiao

Journal of Electrochemistry

Ion-solvaing membranes (ISMs) have received extensive attention in recent years as a key component in electrochemical energy conversion and storage devices. This article provides an overview of structural composition, performance advantages, research progress, ion conduction mechanism and existing issues of ISMs, primarily classifying them according to the matrix structure. A detailed analysis of performance enhancement methods, key performance indicators of ISMs and performance influencing factors is also presented. The article contributes to further optimizing the design and application of ion-solvation membranes, providing theoretical support for the development of fields such as hydrogen production through electrolysis of water and electrochemical energy …

Carbon Supported Octahedral Ptni Nanoparticles (Oct-Ptni/C) As A Cathode Catalyst For Proton Exchange Membrane Fuel Cells (Pemfcs) With Improved Activity And Durability, Zi-Wei Feng, Hai-Zhong Chen, Xiao Duan, Ling Tang, Yun-Kun Zhao, Long Huang

Journal of Electrochemistry

Proton exchange membrane fuel cells (PEMFCs) are considered as a promising renewable power source. However, the massive commercial application of PEMFCs has been greatly hindered by their high expense and less-satisfied performance mainly due to the sluggish oxygen reduction reaction (ORR) kinetics even on state-of-the-art Pt catalyst. Octahedral PtNi nanoparticles (oct-PtNi NPs) with excellent ORR activity in a half-cell have been widely studied, while their performance in membrane electrode assembly (MEA) has much less reported. Herein, we investigated the MEA performance using the carbon supported oct-PtNi NPs (oct-PtNi/C) as the cathode catalyst. Under the mild acid washing condition, the surface …

Stiffening Of Soft Silicone Upon Deep Uv Treatment As Characterized Using Nanoindentation, Amanda Wilder, Zaria Booth, Caden Obermeyer, Saika Sharmin, Venkat Maruthamuthu

Mechanical & Aerospace Engineering Faculty Publications

Silicones are elastomers that have a wide variety of uses, including biomedical applications such as the coating of biomedical devices and as implants. Soft silicones with mechanical properties similar to those of biological tissues have particularly gained use as substrates for cell culture in mechanobiology studies. In this context, it would be desirable to be able to alter their surface mechanical properties with a relatively simple physical treatment. While deep ultraviolet (deep UV) or ultraviolet C (UV-C) treatment has been previously used as a surface treatment method for stiffer silicones formulations, the effect of this treatment on soft silicones relevant …

Multidentate Surfactant-Dependent Synthesis Of Giant Iridium Superstructures, Ramjee Balasubramanian, Maeren E. Hill

Chemistry & Biochemistry Faculty Publications

Giant superstructures of iridium, comprised of smaller spherical and slightly larger anisotropic nanoparticles, were synthesized by reducing iridium chloride in the presence of resorcinarene, a class of tetrameric macrocyclic polyphenols, with sodium borohydride in ethanol in 30 min under mild conditions. These superstructures were characterized by a range of techniques including TEM, HRTEM, EDS and other spectroscopic methods. The impact of the macrocyclic surfactant, its features and reaction conditions in dictating the formation of giant iridium superstructures was evaluated. The packing density of nanoparticles in these giant iridium superstructures could be altered qualitatively by varying the duration of the reaction, …

A Portable Potentiostat Integrated With A Pt/Zno/Lig Electrode For Non-Enzymatic Glucose Detection, Reagan Aviha, Gymama Slaughter

Center for Bioelectronics Publications

Continuous glucose monitoring is critical for effective diabetes management; however, conventional benchtop potentiostats are bulky, costly, and unsuitable for decentralized point-of-care (PoC) applications. To address these limitations, this work presents a miniaturized, low-cost electrochemical sensing platform integrating a non-enzymatic glucose sensor with a portable potentiostat. The sensing electrode is based on laser-induced graphene modified with zinc oxide and platinum nanostructures via electrodeposition to enable sensitive glucose detection under physiological conditions. A custom-designed portable potentiostat was developed to control electrode potentials and perform electrochemical measurements, and its performance was experimentally validated against a commercial Metrohm system. Glucose detection was evaluated using …

Thermal Radiation Effects On Particles From Plasma Arc Radiation, Reece Davis, Joseph Mcgee

Williams Honors College, Honors Research Projects

Understanding the radiation heating and transport of both microparticles and nanoparticles is a phenomenon that is critical for both space and Earth sciences. In space, these particles are heated by plasma arcs within ionized space clouds or solar flares and can be present the path of deep space missions and orbital satellites. While on Earth, processes such as forest fires, nuclear fusion, and microchip manufacturing include the plasma arc heating of particles. These particles lay within the Mie Scattering Regime and Rayleigh Scattering Regime and emit radiation differently based on their diameter. New mathematical and computational modeling has been conducted …

Microplastics, Nanoplastics, And Obesity: Current Evidence And Biological Mechanisms, Maram Albandak, Sanam Rabeeah, Ahmad Mahdi Zahidi, David A. Johnson

Department of Medicine Faculty Publications

Obesity is a rapidly growing global health concern. The pathogenesis is complex and cannot be fully explained by lifestyle factors alone. The increasing attention towards this concern has finally been directed towards environmental contributors which may influence metabolic regulation. Microplastics and nano-plastics (MNPs) are ubiquitous environmental pollutants that have recently been detected in food, drinking water, air, and human biological samples, raising concerns about their potential role in metabolic disorders, including obesity. Chronic exposure to MNPs may interfere with metabolic homeostasis through multiple biological pathways. Emerging evidence, including both experimental and animal studies, reports alterations in lipid metabolism, body weight, …

Nanomagnet Based Reservoir Computing And Quantum Control, Fahim F. Chowdhury

Theses and Dissertations

Conventional CMOS scaling has driven remarkable advances in computing but faces increasing physical and energy constraints, motivating alternative computing paradigms that integrate memory and computation while improving energy efficiency. Nanoscale magnetic systems offer a promising platform for such approaches because their intrinsic nonlinear dynamics and localized magnetic fields can support both classical and quantum information processing. This thesis investigates nanomagnetic systems for physical reservoir computing and, with primary emphasis, for localized quantum control of spin qubits.

The first part explores dipole-coupled nanomagnet arrays as physical reservoirs. Micromagnetic simulations demonstrate nonlinear dynamical behavior with high short-term memory and parity-check capacity, enabling …

Next-Generation Computing Hardware: Advancements In Tantalum Oxide Reram For Ai And Neuromorphic Applications, Rajas Ravindra Mathkari

Electronic Theses & Dissertations (2024 - present)

The rapid development of artificial intelligence, machine learning, and data-intensive computing has exposed the fundamental limitations of conventional von Neumann architectures, in which energy and time are continuously lost transferring data between physically separate memory and processing units. In contrast, the human brain performs complex computations directly at the point of memory storage through billions of parallel synaptic connections, a paradigm known as in-memory computing. Realizing this in hardware requires memory devices that are fast, energy-efficient, non-volatile, and capable of storing multiple resistance levels in an analog manner. Resistive Random Access Memory (ReRAM) based on tantalum oxide (TaOx) is one …

Investigation Of Fine-Grain Cu And Cu Alloys For Low-Temperature Hybrid Bonding Applications, Sarabjot Singh

Electronic Theses & Dissertations (2024 - present)

Hybrid bonding has emerged as a key enabler for next-generation three-dimensional (3D) integration, offering fine-pitch interconnects and improved electrical performance. However, conventional Cu–Cu hybrid bonding typically requires elevated temperatures to achieve sufficient diffusion and interface quality, posing challenges for temperature-sensitive device integration and process compatibility. This work investigates materials engineering approaches to enable low-temperature Cu–Cu bonding through both microstructure design and alloying strategies.

This work begins by examining grain refinement in Cu as a pathway to enhance diffusion through increased grain boundary density, providing efficient atomic transport without introducing additional elements. Three Cu-based systems Cu–Co, Cu–Ag, and Cu–Al were systematically …

Scalable Single-Erbium Telecom Qudits With Record Room-Temperature Quantum Coherence In Silicon-Based Nanostructures, Alexander Kaloyeros

Electronic Theses & Dissertations (2024 - present)

Advancing quantum information science demands solid-state quantum systems that maintain long quantum coherence at elevated temperatures while supporting scalable, CMOS-compatible fabrication and telecom C-band operation. No existing platform has simultaneously achieved these requirements, as state-of-the-art demonstrations of coherent control of erbium ions, with an intrinsic telecom-band optical transition, have been confined to cryogenic temperatures below < 10 K under controlled vacuum conditions. This thesis introduces a new paradigm in which materials science and engineering provides the enabling pathway to quantum coherence.

A foundry-compatible nanofabrication approach, paired with targeted materials engineering, is developed to realize a new class of CMOS-scalable quantum system: arrays of spatially isolated single-erbium-ion qudits (five-level systems) embedded in silicon-based (e.g., silicon carbide (SiC) and SiC_xO_y) hollow nanopillars (HNPs). Non-lithographically …

Development And Analysis Of An Embedded Hardware Platform For Low-Power Rram–Based In-Memory Computing And Neural Network Applications, Jeelka Solanki

Electronic Theses & Dissertations (2024 - present)

Conventional computing architectures are based on repeated data transfer between memory and the compute unit; however, artificial neural network applications rely on data-intensive vector-matrix multiplication as a mathematical operation, where data movement from memory to compute processor results in increased power consumption and reduced performance. Possible solutions to this problem include in-memory computing, which addresses the data transfer bottleneck by computing directly within the memory. To demonstrate the potential of this approach, our research group fabricated hafnium oxide-based resistive random-access memory (RRAM) arrays using a 65nm CMOS technology for in-memory compute operations. This work demonstrates the design and development of …

High-Tcr Multivalence Vanadium Oxide Thin-Films From Deposition Parameter Control To Microbolometer Applications, Latika Susheel M. Chaudhary

Electronic Theses & Dissertations (2024 - present)

This thesis details the development of multivalence-nanostructured vanadium oxide (VOₓ) thin films for uncooled microbolometer applications, with a systematic optimization of magnetron-sputtering parameters. The temperature coefficient of resistance (TCR), resistivity, and optical response of VOₓ thin-film sensing layers are controlled by valence composition, grain growth, and surface morphology. The primary goal was to achieve a high TCR with low resistivity to improve thermal detector performance.

Multivalent VOₓ thin films were deposited on silicon, SiO₂, and glass substrates using DC magnetron sputtering. Three key parameters were systematically varied: Ar:O₂ ratio (18:2 to 15:5), deposition time (60–120 minutes), and DC power (300W …

Improving Modeling Of Corrosion Products In The Primary Circuit Of Light Water Reactors Through The Experimental Determination Of Crud Characteristics, Sri Saravana Konganapuram Narasimma Bharathi

Electronic Theses & Dissertations (2024 - present)

High-temperature water flowing through the coolant circuits in pressurized water reactors (PWRs) creates a harsh environment, deteriorating these materials. This corrosion results in the formation of oxide layer(s) primarily composed of nickel ferrites, iron oxides, nickel oxides, and other nickel-iron-chrome spinel oxides. Being exposed to fluid with high flow rates and pressure, these oxide layers can be eroded, resulting in particulate fouling due to the release of corrosion products (Chalk River Unidentified Deposits, CRUD) into the coolant circuit. When CRUD subsequently deposits on fuel surfaces, it negatively affects the fuel performance (heat transfer and fuel failure); in addition, the particles …

Nanostructured Cathode Catalysts For Aem Electrolysis: From Catalyst Design To Degradation And Hydrogen Dynamics, Yamini Kumaran

Electronic Theses & Dissertations (2024 - present)

Anion exchange membrane water electrolysis (AEMWE) presents a promising pathway toward cost-effective and sustainable hydrogen production by integrating the chemical robustness of alkaline systems with the compact, zero-gap design of proton exchange membrane electrolyzers. However, the widespread implementation of AEMWE is limited by the availability of highly active and durable platinum-group-metal (PGM)-free catalysts and by an incomplete understanding of their degradation behavior under realistic operating conditions.

This dissertation focuses on the development, characterization, and mechanistic investigation of nanostructured MoNi₄–MoO₂-based electrodes for efficient and stable hydrogen generation under alkaline and membrane-integrated environments. MoNi₄–MoO₂ nanorods …

Application Of A Hyaluronic Acid-Based Lotions Containing Hydroxyapatite Nano-Particles Approach For Treatment Of Initial Dental Caries, Zahra Gharavi, Zahra Namazi, Fatemehsadat Pishbin, Helia Givian, Maryam Torshabi, Farhood Najafi, Parisa Amdjadi

Electrical & Computer Engineering Faculty Publications

This study evaluated the remineralization potential of a ceramic–polyelectrolyte system, based on a novel combination of hydroxyapatite nanoparticles (HAp NPs) and a hyaluronic acid (HY) matrix, for dental enamel, a tissue that remains challenging to repair in clinical dentistry. Nano-Hydroxyapatite (nanoHAp) powder was synthesized and characterized using X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), field-emission scanning electron microscopy (FE-SEM), dynamic light scattering (DLS), and zeta potential analysis to confirm their crystalline structure, functional groups, morphology, particle size distribution, and colloidal stability. HY-based suspensions (remineralizing lotions) containing 5, 10, and 12 wt% of the synthesized nanoHAp particles were formulated via a …

Molecular Diffusion In Chemically Amplified Resists For Euv Lithography, Eshan Dilina Thilakarathna

Electronic Theses & Dissertations (2024 - present)

Photolithography is a critical manufacturing step in high-volume manufacturing (HVM) of semiconductor devices, where a photoresist layer is used to transfer nanoscale patterns onto the underlying stack materials. As the microelectronics industry continues to move toward smaller node sizes, driven by Moore's Law. As a result, the tolerances for photoresist performance have become increasingly demanding, which necessitates simultaneous improvements in resolution, defectivity, and roughness. At advanced nodes, these performance limitations are governed by the fundamental stochastic nature of the photochemical processes occurring within the resist film itself, rather than the optical or tool-level constraints. Photon shot noise, the statistical distribution …