Materials Science and Engineering Commons^™

Development, Synthesis And Characterization Of Advanced Low- Cobalt And High-Nickel Cathode Materials For Lithium-Ion Batteries, Arjun Patel

Theses and Dissertations

This dissertation focuses on the improvement of structural and electrochemical stability of active materials for lithium-ion batteries. It explores the modification strategies to mitigate the issues related to Ni-rich cathode materials, along with the continuous production of cathode precursors using a slug flow reactor to improve the quality of the product.

The First part of the dissertation examines the effect of substitution of cobalt with aluminum and iron on the electrochemical stability of Ni-rich lithium nickel cobalt manganese oxide (NCM) materials. This study investigates how Al and Fe doping work and how they impact the performance and stability of these …

A Comparison Of Microcrystal Electron Diffraction And X-Ray Powder Diffraction For The Structural Analysis Of Metal-Organic Frameworks, Erik Biehler, Silvana Pagola, Daniel Stam, Johannes Merkelbach, Christian Jandl, Tarek M. Abdel-Fattah

Chemistry & Biochemistry Faculty Publications

This study successfully implemented microcrystal electron diffraction (microED) and X-ray powder diffraction (XRPD) for the crystal structure determination of a new phase, TAF-CNU-1, Ni(C₈H₄O₄)·3H₂O, solved by microED from single microcrystals in the powder and refined at the kinematic and dynamic electron diffraction theory levels. This nickel metal–organic framework (MOF), together with its cobalt and manganese analogues with formula M (C₈H₄O₄)·2H₂O with M = Mn ^II or Co^II, were synthesized in aqueous media as one-pot preparations from the corresponding hydrated metal chlorides and sodium terephthalate, as a promising `green' synthetic route to moisture-stable MOFs. The crystal structures of the …

Metathesis Or Isomerization: Counteranion Directed Reactivity Of Grubbs I, Paul D. Miller, Joe B. Calkins, Craig A. Bayse, Trandon A. Bender

Chemistry & Biochemistry Faculty Publications

Catalytic isomerization of alkenes has garnered interest for many years, but there are remaining challenges when it comes to thermodynamic selectivity and uncontrolled isomerization. Nonbiased substrates, be it sterically or thermodynamically, remain challenging for many catalysts, with a few examples available in the more modern literature. Herein, we present the controlled isomerization of linear alkenes with a cocatalytic mixture of commercially available catalyst and reagents: Grubbs I, tris(pentafluorophenyl)borane, and triethylsilane. DFT calculations indicate that an observed alkylidyne hydride intermediate is in rapid equilibrium with an alkylidene that binds the alkene substrate. This combination results in a pi-acidic metal and a …

Amphiphilic Tripodal Metalloligands: Synthesis, Coordination Chemistry And Preliminary Catalysis, Austin W. Medley, Paul D. Miller, Craig A. Bayse, Robert D. Pike, Trandon A. Bender

Chemistry & Biochemistry Faculty Publications

Triscatecholate binding has been widely studied in the context of biological systems, supramolecular chemistry, and weak aggregate interactions. However, the utilization of the triscatecholate binding motif for the preparation of metalloligands remains unexplored. Herein, we report the synthesis, structural characterization, and functional studies of a triscatecholate ligand with an appended pyridyl residue as a candidate for such applications. Our findings reveal that the selective formation of cis-triscatecholate-based metalloligands is influenced by electronic effects on the catecholate anions, enabling the targeted synthesis of Al(III), Ga(III), and In(III) triscatecholate metalloligands capable of binding Zn(II) and Ru(II) at the appended pyridyl moiety for …

Effects Of Chain Length, Saturation, And Bases On Saponification, Sarah Fenik

Williams Honors College, Honors Research Projects

This project will analyze the effects of chain length and saturation of fatty acids on saponification processes, as well as the effects of the base used in the reaction. Stearic acid, lauric acid, and oleic acid will be used for the fatty acid comparisons, and sodium hydroxide and potassium hydroxide will be used for the base comparisons. Stearic acid is considered a long chain fatty acid, while lauric acid is considered a short chain fatty acid. Oleic acid is a monounsaturated fatty acid. Five soap products are be made: sodium stearate, sodium laurate, sodium oleate, potassium stearate, and potassium oleate. …

Beyond The Phonon Gas Model (Pgm): Unraveling The Unique Mechanistic Processes Dictating Thermal Transport In Highly Anharmonic And Disordered Materials, Sandip Thakur

Open Access Dissertations

Thermal transport in nonmetallic solids has traditionally been described by the phonon gas model (PGM), in which heat is carried by weakly interacting phonon quasiparticles in an ordered crystalline lattice. However, this model breaks down in materials characterized by strong anharmonicity, dynamic disorder, or structural complexity, features prevalent in many next-generation materials used in energy conversion, optoelectronics, and thermal management. This dissertation investigates thermal transport in such complex materials, including metal halide perovskites (MHPs), covalent organic frameworks (COFs), metal organic frameworks (MOFs), and 2D-3D heterostructures, through large-scale molecular dynamics (MD) simulations and frequency-resolved spectral analyses.

In MHPs, the work reveals …

Characterization And Optimization Of Sand And Tung Oil-Based Resins For Binder-Jet 3d Printing, Daniel I. Ajiola

College of Graduate Studies: Theses & Dissertations

Binder-jet 3D printing as a transformative technology in additive manufacturing, offers the ability to fabricate complex structures with diverse materials. This thesis investigates the use of a sustainable tung oil-based resin to create composites, exploring the potential for an eco-friendly alternative to synthetic binders.

The aim of this research is to develop and characterize a bio-based resin formulation, using tung oil as the primary binder, for application in binder-jet 3D printing with sand as the reinforcement. The resin formulation was prepared by combining tung oil, n-butyl methacrylate, divinylbenzene, and di-tert-butyl peroxide in precise proportions, ensuring a balanced mixture that supports …

First-Principles Study Of Ferroelectric Properties And Co2 Reduction Reaction Capabilities In Two-Dimensional Monolayers And Heterostructures, Mo Li

Dissertations

Two-dimensional (2D) materials hold significant potential for CO₂ reduction reactions (CO₂RR) due to their high surface-to-volume ratio. However, achieving high selectivity for desired products and overcoming limitations posed by scaling relationships remain challenging. Recent studies suggest that ferroelectric (FE) materials with switchable out-of-plane polarization (OOP) can effectively tune the adsorption behavior, thermodynamics, and kinetics of CO₂RR, offering promising solutions to these challenges. Using density functional theory (DFT) and the Berry phase approach, this work expands the family of 2D ferroelectrics by theoretically identifying Y₂CO₂, Y₂CS₂, and Sc …

Single-Step Synthesis Of Activated Carbon From Arabica Spent Coffee Ground Using K2co3 As Activator Agent, Ghina Ivana Mieldan, Yuliusman Yuliusman

Journal of Materials Exploration and Findings

Activated carbon is a nanomaterial that is often used as an effective adsorbent. Activated carbon raw materials can use biomass, such as coffee grounds, which can be found along with the growth of public interest in coffee drinks. Chemical activators are used for activation to increase biomass carbon's adsorption capacity. Using K₂CO₃ activator to increase the specific surface area of activated carbon is more harmless than KOH. The use of spent coffee grounds as carbon source and food additive K₂CO₃ as an activator can make food-grade activated carbon that can be used for food. …

Effect Of Alkyd And Polyester Resin Compositions On Corrosion Resistance, Blistering, And Adhesion In Utilization Of Oily Sludge As Anti-Rust Coating Material, Gerets Land Kakalang, Yohanes David Kristianto, Johny Wahyuadi Mudaryoto

Journal of Materials Exploration and Findings

Oil sludge is a waste derived from upstream and downstream activities of the oil and gas industry which is estimated at 10,000 tonnes generated from all PERTAMINA downstream activities spread across various fields, processing units and depots throughout Indonesia. Oil sludge has the same characteristics as asphalt, where asphalt in previous studies can be used as an anti-rust coating, so that the handling of oily sludge can be topped up by reusing and having its own added value. The purpose of this research is to utilise waste oily sludge as an alternative anti-rust coating material and compare alkyd resin and …

Dendrite-Free Strategies For Aqueous Zinc-Ion Batteries: Structure, Electrolyte, And Separator, Gang Wu, Wu-Hai Yang, Yang Yang, Hui-Jun Yang

Journal of Electrochemistry

Continued growth in energy demand and increased environmental pollution constitute major challenges that need to be addressed urgently. The development and utilization of renewable, sustainable, and clean energy sources, such as wind and solar, are crucial. However, the instability of these intermittent energy sources makes the need for energy storage systems increasingly urgent. Aqueous zinc-ion batteries (AZIBs) have received widespread attention due to their unique advantages, such as high energy density, cost-effectiveness, environmental friendliness, and safety. However, AZIBs face significant challenges, mainly the formation of zinc dendrites that seriously affect the stability and lifetime of the batteries, leading to battery …

Electrochemical-Method-Induced Strong Metal-Support Interaction In Pt-Cnt@Sno2 For Co-Tolerant Hydrogen Oxidation Reaction, Shen-Zhou Li, Zi-Jie Lin, Qi-An Chen, Zhao Cai, Qing Li

Journal of Electrochemistry

Inducing the classic strong metal-support interaction (SMSI) is an effective approach to enhance the performance of supported metal catalysts by encapsulating the metal nanoparticles (NPs) with supports. Conventional thermal reduction method for inducing SMSI processes is often accompanied by undesirable structural evolution of metal NPs. In this study, a mild electrochemical method has been developed as a new approach to induce SMSI, using the cable structured core@shell CNT@SnO₂ loaded Pt NPs as a proof of concept. The induced SnO_x encapsulation layer on the surface of Pt NPs can protect Pt NPs from the poisoned of CO impurity in …

Contributions To Journal Of Electrochemistry, The Flagship Journal Of Chinese Chemical Society Electrochemical Committee, Will Be Listed As A New Recommendation Policy For China Youth Awards Of Electrochemist, Editorial Office Of J.Electrochem.

Journal of Electrochemistry

No abstract provided.

All-Solid-State Sodium-Ion Batteries: A Leading Contender In The Next-Generation Battery Race, Rui-Jie Zhu, Ze-Chen Li, Wei Zhang, Akira Nasu, Hiroaki Kobayashi, Masaki Matsui

Journal of Electrochemistry

All-solid-state lithium-ion batteries (LIBs) using ceramic electrolytes are considered the ideal form of rechargeable batteries due to their high energy density and safety. However, in the pursuit of all-solid-state LIBs, the issue of lithium resource availability is selectively overlooked. Considering that the amount of lithium required for all-solid-state LIBs is not sustainable with current lithium resources, another system that also offers the dual advantages of high energy density and safety— all-solid-state sodium-ion batteries (SIBs) —holds significant sustainable advantages and is likely to be the strong contender in the competition for developing next-generation high-energy-density batteries. This article briefly introduces the research …

Thermal Conductivity Characterization Of High Oleic Vegetable Oils Based Hybrid Nanofluids Formulated Using Gnp, Tio2, Mos2, Al2o3 Nanoparticles For Mql Machining, Anthony Chukwujekwu Okafor, Tobechukwu Kingsley Abor, Saidanvar Esanjonovich Valiev, Ignatius Echezona Ekengwu, Abiodun Saka, Monday Uchenna Okoronkwo

Mechanical and Aerospace Engineering Faculty Research & Creative Works

This paper presents the results of thermal conductivity characterization of six high oleic soybean oil (HOSO) and four high oleic canola oil (HOCO)-based hybrid nanofluids formulated with four types of nanoparticles (Graphene nanoplatelet (xGnP), TiO2, MoS2, and Al2O3) at nanoparticles wt.% concentration from 1 % to 7 % in 1 % increment using the two-step method for use in MQL machining of difficult-to-cut metals. Thermal conductivity of the formulated hybrid nanofluids were measured using Thermtest Transient Hot Wire Liquid Thermal Conductivity Meter at temperatures from 25 °C to 75 °C in increment of 10 °C. Obtained results showed that thermal …

Experimental Evaluation Of A Recrosslinkable Co2-Resistant Micro-Sized Preformed Particle Gel For Co2 Sweep Efficiency Improvement In Reservoirs With Super-K Channels, Adel Alotibi, Tao Song, Ali Al Brahim, Baojun Bai, Thomas P. Schuman

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

A recross linkable CO₂-resistant branched preformed particle gel (CO₂-BRPPG) was developed for controlling CO₂ injection conformance, particularly in reservoirs with super-permeable channels. Previous work focused on a millimeter-sized CO₂-BRPPG in open fractures, but its performance in high-permeability channels with pore throat networks remained unexplored. This study used a sand pack model to evaluate a micro-sized CO₂-BRPPG under varying conditions of salinity, gel concentration, and pH. at ambient conditions, the equilibrium swelling ratio (ESR) of the gel reached 76 times its original size. This ratio decreased with increasing salinity but remained stable …

Influence Of Glycopolymer Structure On Amphiphilic, Hybrid, Linear Branched Block Copolymer Properties For Use In Biomedical Applications, Kevin Green

Dissertations

The focus of this dissertation is evaluating and adding fundamental knowledge regarding the structure-property relations of glycopolymers used in the design of hybrid block copolymers (HBC) that are cable of self-assembling into delivery vehicles for biomedical applications. A shift to the utilization of natural materials in the design and fabrication of drug-delivery vehicles has garnered significant attention. Understanding the effects of linear glycopolymers content and composition on the resulting HBCs properties can provide valuable insight into how these materials may be tailored for use in targeted biological applications.

The first chapter introduces current literature on the need for improvement in …

Understanding Defect Dynamics In Black Phosphorene Under Noble Gas Ion Irradiation., Saransh Gupta

Electronic Theses and Dissertations

Controlled introduction of defects in phosphorene using high-energy ion beams offers a promising route to design novel high-performance materials for energy technologies. However, this potential remains underexplored due to a lack of fundamental understanding of the atomic-scale mechanisms governing the production, accumulation, and temporal evolution of defects during ion irradiation. Here, we employ a combination of classical and ab initio molecular dynamics simulations to elucidate the effects of ion energy, angle of incidence, noble gas ion size/mass, and fluence on (a) defect generation (i.e., point defects, topological imperfections, voids), (b) atomic-scale mechanisms of defect formation and re-arrangement, and (c) defect …

Thermal Conductivity Characterization Of High Oleic Vegetable Oils Based Hybrid Nanofluids Formulated Using Gnp, Tio2, Mos2, Al2o3 Nanoparticles For Mql Machining, Anthony Chukwujekwu Okafor, Tobechukwu Kingsley Abor, Saidanvar Esanjonovich Valiev, Ignatius Echezona Ekengwu, Abiodun Saka, Monday Uchenna Okoronkwo

Chemical and Biochemical Engineering Faculty Research & Creative Works

This paper presents the results of thermal conductivity characterization of six high oleic soybean oil (HOSO) and four high oleic canola oil (HOCO)-Based hybrid nanofluids formulated with four types of nanoparticles (Graphene nanoplatelet (xGnP), TiO₂, MoS₂, and Al₂O₃) at nanoparticles wt.% concentration from 1 % to 7 % in 1 % increment using the two-step method for use in MQL machining of difficult-to-cut metals. Thermal conductivity of the formulated hybrid nanofluids were measured using Thermtest Transient Hot Wire Liquid Thermal Conductivity Meter at temperatures from 25 °C to 75 °C in increment …

Development Of Uranium Fluoride Microstructures, Harry Jang

UNLV Theses, Dissertations, Professional Papers, and Capstones

Uranium microstructured materials with controlled size and shape have found applications in several branches of the nuclear industry including as targets for medical isotopes production, fuels for nuclear reactors, standards for analytical measurements, and energy sources for space exploration. Morphological studies of actinide materials are also highly relevant to nuclear forensics-related work. Other potential applications include information storage, catalysis, sensors, and luminescent devices. Most studies on uranium microstructured materials have focused on binary oxides, nitrides, carbides, and fluorides, with the spherical shape being the dominant morphology. Prior to the work reported in this dissertation, aside from UF4 microspheres (ms) and …

Aqueous Supercapacitors With Wide Operative Voltage Window And Long Cycling Life Enabled By Electrolyte Hybridization Effect, Shi-Hua Ma, Qi Yin, Jin-Ping Zhao

Journal of Electrochemistry

Developing supercapacitors (SCs) with long cycling life and wide operative voltage window is a significant topic in the field of aqueous electrolytes. Although the design of water in salt (WIS) electrolytes has pushed the development of aqueous electrolytes to a new height, the WIS electrolytes with an operative voltage window of up to 2.5 V is still very scarce. Herein, in order to enrich the type of aqueous electrolyte with high operative voltage, tetramethylammonium trifluoromethanesulfonate (TMAOTf) based WIS electrolyte was used as a model to construct WIS based hybrid electrolyte with acetonitrile (ACN) co-solvent and LiTFSI co-solute. In view of …

Journal Of Electrochemistry, The Flagship Journal Of Chinese Chemical Society Electrochemical Committee, Made A Public Appearance At The 22nd National Electrochemical Congress, Editorial Office Of J.Electrochem.

Journal of Electrochemistry

No abstract provided.

The Award Ceremony Of The 2nd Xiamen University Short Video Abstract Contest For Science And Technology Journal Papers Came To A Successful Conclusion, Editorial Office Of J.Electrochem.

Journal of Electrochemistry

No abstract provided.

The 9th National Conference Of Solid State Battery Successfully Held In Xiamen, Fujian, Zheng-Liang Gong

Journal of Electrochemistry

No abstract provided.

Refining Chlorosulfonation Methods For The Synthesis Of A Perfluoroalkyl Arylsulfonimide (Pfsi) Monomer, Ainsley P. Foster, Benjamin Varney, Hua Mei

Science University Research Symposium (SURS)

Proton-exchange membrane (PEM) fuel cells are sources of energy that are clean, quiet, and highly responsive to changes in power needs, making them promising for use in automobiles and other portable power devices. The electrolyte of a PEM cell–the layer responsible for conductivity–is a polymer membrane, commonly consisting of perfluoroalkyl sulfonic acid (PFSA) polymers. Perfluoroalkyl arylsulfonimide (PFSI) polymers are expected to improve the efficiency of PEM fuel cells through optimal stability and proton conductivity. The trifluovinylether (TFVE) aryl perfluorosulfonamide monomer is a new PFSI monomer proposed to fulfill these benefits once polymerized. A six-step synthesis route was initially designed to …

Liquid Crystalline Collagen Assemblies As Substrates For Directed Alignment Of Human Schwann Cells, Homa Ghaiedi, Luis Carlos Pinzon-Herrera, Saja Alshafeay, Leonard Harris, Jorge Almodovar, Karthik Nayani

Chemical Engineering Faculty Publications and Presentations

Collagen is a key component of the extracellular matrix (ECM) and well-oriented domains of collagen are important for mimicking the local cell environment in vitro. While there has been significant attention directed towards the alignment of collagen, formation of large-scale oriented domains remains a key challenge. Type I collagen self-assembles to form liquid crystalline (LC) mesophases in acidic conditions at concentrations above 100 mg mL−1. The LC mesophase provides an efficient platform for large-scale alignment and patterning of collagen coated substrates. However, there still exist challenges related to solubilizing and processing of collagen at such high concentrations in order …

Insulator-To-Metal Transition And Isotropic Gigantic Magnetoresistance In Layered Magnetic Semiconductors, Gokul Acharya, Bimal Neupane, Chia-Hsiu Hsu, Xian P. Yang, David Graf, Eun Sang Choi, Krishna Pandey, Md Rafique Un Nabi, Santosh Karki Chhetri, Rabindra Basnet, Sumaya Rahman, Jian Wang, Zhengxin Hu, Bo Da, Hugh O.H. Churchill, Guoqing Chang, M. Zahid Hasan, Yuanxi Wang, Jin Hu

Physics Faculty Publications and Presentations

Magnetotransport, the response of electrical conduction to external magnetic field, acts as an important tool to reveal fundamental concepts behind exotic phenomena and plays a key role in enabling spintronic applications. Magnetotransport is generally sensitive to magnetic field orientations. In contrast, efficient and isotropic modulation of electronic transport, which is useful in technology applications such as omnidirectional sensing, is rarely seen, especially for pristine crystals. Here a strategy is proposed to realize extremely strong modulation of electron conduction by magnetic field which is independent of field direction. GdPS, a layered antiferromagnetic semiconductor with resistivity anisotropies, supports a field-driven insulator-to-metal transition …

Lithicone-Protected Lithium Metal Anodes For Lithium Metal Batteries With Nickel-Rich Cathode Materials, Ridwan A. Ahmed, Kevin V. Carballo, Krishna P. Koirala, Qian Zhao, Peiyuan Gao, Ju-Myung Kim, Cassidy S. Anderson, Xiangbo Meng, Chongmin Wang, Ji-Guang Zhang, Wu Xu

Mechanical Engineering Faculty Publications and Presentations

The high energy density advantage of lithium (Li) metal batteries (LMBs) makes them increasingly desirable; however, problems such as strong reactivity and dendrite growth of Li metal anode limit their practical uses. In this work, a novel Li-containing glycerol (LiGL) or lithicone protection layer on a 50 μm thick Li metal anode is employed for improving the performance of LMBs. This LiGL layer was accurately deposited via a molecular layer deposition (MLD) process at 150°C, using lithium tert-butoxide and glycerol as precursors. The as-formed LiGL coating layer is highly tunable in its thickness by simply adjusting MLD cycles and shows …

Highly Sensitive Detection Of Strontium Ions Using Metal-Organic Frameworks Functionalized Solid-State Nanochannels, Xu-Gang Wang, Zheng-Xu He, De-Fang Ding, Xue-Qin Luo, Li Dai, Wei-Qi Zhang, Qun Ma, Yu Huang, Fan Xia

Journal of Electrochemistry

Strontium-90, a highly radioactive isotope, accumulates within the food chain and skeletal structure, posing significant risks to human health. There is a critical need for a sensitive detection strategy for Strontium-90 in complex environmental samples. Here, solid-state nanochannels, modified with metal-organic frameworks (MOF) and specific aptamers, were engineered for highly sensitive detection of strontium ion (Sr²⁺). The synergistic effect between the reduced effective diameter of the nanochannels due to MOF and the specific binding of Sr²⁺ by aptamers amplifies the difference in ionic current signals, enhancing detection sensitivity significantly. The MOF-modified nanochannels exhibit highly sensitive detection of …

Journal Of Electrochemistry Is Selected To Entering Ici Journals Master List, Editorial Office Of J.Electrochem.

Journal of Electrochemistry

No abstract provided.