Physical Sciences and Mathematics Commons^™

Preparation Of Nis2 Nanosheet And Its Application In Asymmetric Supercapacitor, Yuan-You Wang, Ya-Nan Liu, Dang-Qin Jin

Journal of Electrochemistry

In this work, the NiS₂ nanosheets have been synthesized using Ni(OH)₂ as a precursor through a sacrificial template method. The microstructure and chemical composition of as-prepared NiS₂ were characterized by XRD, EDS, BET, SEM and TEM techniques. The results showed that both Ni(OH)₂ and NiS₂ were composed of nanoplates. The electrochemical tests revealed that NiS₂ exhibited the high specific capacitance of 1067.3 F•g^-1 at a current density of 1 A•g^-1 and excellent rate performance. Furthermore, in order to evaluate the practical application of NiS₂, an asymmetric supercapacitor, NiS₂ as …

Effect Of Fe2+/Fe3+Interconvertion On Reduction Behavior Of Fe3+ In Acidic Electrolytes, Jian-Xin Qin, Feng Lin, Wen-Ping Liu, Chao Chen, Meng-De Ren

Journal of Electrochemistry

The influences of ferrous/ferric (Fe²⁺/Fe³⁺) interconvertion on electrochemical reduction and electrode reaction of Fe³⁺ were investigated by using linear sweep voltammetry, potentiostatic method and cyclic voltammetry (CV) in acidic electrolytes containing chloride ion (Cl^- ) and sulfate ion (SO₄^2-). It was shown that the reduction process of Fe³⁺/Fe²⁺ would take place in two independent stages: (1) the reduction of Fe³⁺ to Fe²⁺ at E=0.35V and (2) the co-precipitation of Fe²⁺ by forming Fe(OH)₂ (E≤-0.3 V) instead of Fe. The major effect of Fe^{2+ …}

Effect Of Peg-Coating On Properties Of Lithium-Sulfur Battery Cathode Material Containing Carbon Fiber Conductive Agent, Jie-Cheng Tan, Yan-Hong Tian, Xue-Jun Zhang, Kai-Le Fan

Journal of Electrochemistry

The composite materials contained high modulus carbon fiber (HMCF) were successfully prepared by employing a ball-milling process based on the coating treatment of polyethylene glycol (PEG), and their structures and morphologies were characterized by scanning electron microscopy (SEM), X-ray powder diffraction (XRD), and X-ray photoelectron spectroscopy (XPS) techniques．The influences of PEG content on sulfur cathode capacity, cycle stability and rate performance were systematically studied. It was found that by the pre-coating of PEG, the cathode exhibited the high initial discharge specific capacity of 1312.5 mAh•g^-1 at a current rate of 0.2C, and the reversible discharge capacity of 650 mAh•g …

Effects Of Jet Milling And Classifying Process On The Performance Of Lifepo4/C In Full Batteries, Xing-Liang Liu, Mao-Ping Yang, Wei-Wei Wang, Yong Cao

Journal of Electrochemistry

The carbon coated lithium iron phosphate (LiFePO₄/C) composite cathode material was prepared by using iron phosphate process. The effects of jet milling and classifying process on the electrochemical performance of LiFePO₄/C cathode material in full batteries were investigted. Scanning electron microscopic analyses suggested that the globose secondary particles were crustily crushed during the jet milling and classifying process, which would further result in lower tap density and carbon content. The LiFeP₄/C composite cathode materials with different physical characteristics were further tested in full batteries to evaluate the electrochemical properties. The results showed no obvious …

Cobalt-Based Nitrogen-Doped Carbon Non-Noble Metal Catalysts For Oxygen Reduction Reaction, Meng-Xiu Jiang, Jing Zhang, Yue-Hua Li, Rong Zhang

Journal of Electrochemistry

Transition metal-nitrogen co-doped carbon catalysts have attracted significant attention because of their reasonable activity and remarkable selectivity toward oxygen reduction reaction (ORR) as cathodic reaction in fuel cells. However, the role of transition metal in the active sites of the catalysts still is uncertain. In this work, the Co_x-N_y/C-T catalysts were prepared with BP2000 as a carbon source, urea (Ur) as a nitrogen source and Co(OAc)₂•4H₂O as a metal precursor by a simple chemical method. Meanwhile, in order to optimize the ORR activity, the catalysts were synthesized with different amounts of Co …

Electrochemical Behaviors Of Ce3+/Ce4+ Couple In A Mixed-Acid Medium Of Ch3So3H And H2So4, Zhao-Hua Li, Jiao-Long Xu, Ting Wu

Journal of Electrochemistry

In order to determine the optimum molar ratio between methanesulfonic acid (MSA) and sulfuric acid, linear sweep voltammetry (LSV), cyclic voltammetry (CV), and electrochemical impedance spectroscopy (EIS) were used to investigate the electrochemical behaviors of cerium (III)/cerium (IV) (Ce³⁺/Ce⁴⁺couple on a Pt electrode in a mixed acid solution. Various concentrations of sulfuric acid were considered in the experiments, while the concentration of MSA was fixed at 1.0 mol·L^-1. It was found that the optimum concentration of sulfuric acid was 0.8 mol·L^-1 since the current response was the highest in the control groups and …

Core-Shell Pd@Pt Ultrathin Nanowires As Durable Oxygen Reduction Electrocatalysts, Xin Wang, Yun-Jie Xiong, Liang-Liang Zou, Qing-Hong Huang, Zhi-Qing Zou, Hui Yang

Journal of Electrochemistry

This paper describes a simple CO-assisted reduction approach for the controllable synthesis of ultrathin Pd nanowires along the one-dimensional (1D) direction. Ultrathin Pt films from one to several atomic layers were successfully decorated onto ultrathin Pd nanowires by utilizing Cu UPD deposition, and followed by in-situ redox replacement reaction of UPD Cu by Pt. The core–shell structure and composition of the Pd@Pt ultrathin nanowires have been verified using transmission electron microscopy and energy dispersive X-ray spectrometry. The core–shell Pd@Pt ultrathin nanowires exhibited comparative electrocatalytic activity and improved durability for the oxygen reduction reaction in comparison with commercial Pt black. The …

Effect Of Allyl Thiourea On Nickel Electrodeposition From Solution Containing Ammonia And Chloride, Ya-Ning He, Liang Yuan, Zhi-Ying Ding, Shi-Jun Liu

Journal of Electrochemistry

The effects of allylthiourea (ATU) concentration on the cathodic polarization behaviour, nucleation and surface morphology of nickel electrodeposited on the glassy carbon electrode from ammonia-ammonium chloride-water (NH₃-NH₄Cl-H₂O) solutions were investigated by cyclic voltammogry, cathodic polarization and current transient methods. The results revealed that the addition of ATU inhibited nickel deposition, which was enhanced with an increase in ATU concentration from 5 to 50 mg•L^-1. The initial deposition kinetics corresponded to a model including instantaneous nucleation and diffusion controlled growth. In the presence of ATU, the initial nucleation of nickel electrocrystallisation remained unchanged. …

Effect Of Calcium On Atmospheric Corrosion Resistance Of Bridge Steel, Dong-Liang Li, Gui-Qin Fu, Miao-Yong Zhu

Journal of Electrochemistry

The corrosion behavior of bridge steel in simulated hot and humid industrial-marine atmosphere was investigated by mass loss analysis, XRD, SEM, electrochemical methods and a wet/dry alternate immersion corrosion test using 0.1 mol•L^-1 NaCl+0.01 mol•L^-1 NaHSO₃ solutions. The corrosion depth (W) of experimental steels before and after calcium treatment versus time (t) curves showed a good agreement with the power function of W=Atⁿ. The corrosion products were mainly composed of amorphous phase and a small amount of crystals including α-FeOOH, β-FeOOH, γ-FeOOH and Fe₃O₄. Trace calcium could promote the formation of …

Kinetics And Mechanism Toward Electrochemical Reductions Of Sodium Bromide And Methanol Over Iron Electrodes, Qun Liao, Shu-Feng Zhang, Wen-Hua Leng

Journal of Electrochemistry

It is of technological value and scientific interest to the electro-synthesis of ferrocene, conversion of carbon dioxide (CO₂) and organic electro-synthesis in non-aqueous solutions by investigating the kinetics and mechanism toward electrochemical reductions of sodium bromide (NaBr) and methanol over iron electrodes. However, few reports in the related researches are available. In this article, the kinetics and mechanism toward electrochemical reductions of NaBr and methanol over iron electrodes were examined in detail by carrying out the polarization curve and electrochemical impedance spectroscopic measurements. The results showed that methanol was the reactant, while Na⁺ ions were functioned only …

Engineering The Electrochemical Capacitive Properties Of Activated Carbon By Correct Selection Of Ionic-Liquid Electrolytes, Qiu-Hong Zhang, Bao-Shou Shen, Song-Lin Zuo, Xin-Yu Wei

Journal of Electrochemistry

In order to improve the electrochemical capacitive properties and to apply coconut shell activated carbon (AC) serving as electrode materials in ionic liquid (IL)-based supercapacitor (SC), the coconut shell AC material was re-activated using a steam as an activating agent in this work, forming a secondary AC (W-AC). The results showed that the specific capacitance of the W-AC electrode was much larger than that of the raw activated carbon electrode (R-AC) in 1-ethyl-3-methylimidazolium tetrafluoroborate ([EMIM]BF₄). The electrochemical techniques including cyclic voltammetry (CV), galvanostatic charge/discharge (GCD) measurement, and electrochemical impedance spectroscopy (EIS) were used to systematically study the capacitive …

Capacity Fading Analyses Of Lini 0.5Co 0.2Mn 0.3O2And Lini 0.5Co 0.2Mn 0.3O2/Lifepo4 Cathode Materials For Lithium-Ion Battery, Yi Hu, Xiang-Zhu He, Zhong-De Deng, Ling-Yong Kong, Wei-Li Shang

Journal of Electrochemistry

The LiNi _0.5Co _0.2Mn _0.3O₂/LiFePO₄ (NMC532/LFP) composite cathode material for lithium-ion battery was prepared by wet ball-milling. The capacity fading behaviors of LiNi _0.5Co _0.2Mn _0.3O₂ (NMC532) and LiNi _0.5Co _0.2Mn _0.3O₂/LiFePO₄ (NMC532/LFP) were analyzed by X-ray diffraction (XRD), scanning electron microscope (SEM), charge/discharge and electrochemical impedance spectroscopy (EIS) tests. The results indicated that the capacity retention values of NMC532/LFP were 97.80% and 86.48%, respectively, after 50 cycles and 60℃ high temperature storage. The NMC532/LFP exhibited better cycle performance and high temperature storage performance. …

Applications Of N-Methyl-N-Butyl-Pyrrolidinium Bromide And N-Methyl-N-Ethyl-Pyrrolidinium Bromide In Zn-Br Flow Batteries, Zhang Qi, Miao-Miao Zhang, Meng Lin

Journal of Electrochemistry

It is extremely important for battery performance and safety in Zn-Br flow battery to use quaternary ammonium salts as complex agents for bromine. In this work, the effects of electrolyte compositions and concentrations on the electrode reactions and battery performances were studied in the absence and presences of N-methyl-N-ethyl-pyrrolidinium bromide (MEP) or N-methyl-N-butyl-pyrrolidinium bromide (MBP). The conductivities in the electrolytes containing different constitutions and concentrations were measured by EIS method. The charge-discharge performance for the battery and the complex ability for bromine in different electrolytes were also investigated. The results showed that the electrolyte containing MBP was better than that …

Electroactivities Of Pd/Fe3O4-C Catalysts For Electro-Oxidation Of Methanol, Ethanol And Propanol, Tao Zou, Qing-Feng Yi, Yuan-Yuan Zhang, Xiao-Ping Liu, Guo-Rong Xu, Hui-Dong Nie, Xiu-Lin Zhou

Journal of Electrochemistry

Development of palladium (Pd) catalysts with high electroactivity for alcohol oxidation is significant for alcohol fuel cells. In this work, Pd nanoparticles were formed by sodium borohydride (NaBH₄) reduction method and subsequently deposited on the surface of carbon supported ferriferrous oxide (Fe₃O₄/C) composites to obtain the Pd/Fe₃O₄-C catalysts with different Fe₃O₄ loadings. Their transmission electron microscopic (TEM) images show that the Pd nanoparticles were uniformly dispersed on the Fe₃O₄/C. Electroactivities of the prepared Pd/Fe₃O₄-C catalysts toward oxidations of C1-C3 …

Chemistry And Biochemistry News, Georgia Southern University

Department of Chemistry and Biochemistry News (2015-2023)

• SERMACS 2017
• Simpo Akech Defends her Master's Thesis

Matlab Processing Scripts To Accompany Spatially Resolved Measurements Of Crosslinking In Uv-Curable Coatings Using Single-Sided Nmr, Madeline Brass, Frances Jude Morin, Tyler Meldrum

Data

These Matlab scripts are used to import CPMG data collected using a Kea spectrometer (through the program Prospa), and to process each echo using the Fourier transformation. This provides spatially resolved NMR relaxation data that can be fitted or subjected to inverse Laplace transformation (not provided) to characterize relaxation at different positions within a sample.

Structural Evidence Of A Major Conformational Change Triggered By Substrate Binding In Dape Enzymes: Impact On The Catalytic Mechanism, Boguslaw Nocek, Cory Reid, Anna Starus, Tahirah Heath, David Bienvenues, Jerzy Osipiuk, Robert Jedrzeczak, Andrzej Joachimiak, Daniel P. Becker Ph.D., Richard C. Holz

Chemistry: Faculty Publications and Other Works

The X-ray crystal structure of the dapE-encoded N-succinyl-l,l-diaminopimelic acid desuccinylase from Haemophilus influenzae (HiDapE) bound by the products of hydrolysis, succinic acid and l,l-DAP, was determined at 1.95 Å. Surprisingly, the structure bound to the products revealed that HiDapE undergoes a significant conformational change in which the catalytic domain rotates ∼50° and shifts ∼10.1 Å (as measured at the position of the Zn atoms) relative to the dimerization domain. This heretofore unobserved closed conformation revealed significant movements within the catalytic domain compared to that of wild-type HiDapE, which results in effectively closing off access to …

The Effect Of Time, Roasting Temperature, And Grind Size On Caffeine And Chlorogenic Acid Concentrations In Cold Brew Coffee, Niny Z. Rao, Megan Fuller

College of Humanities and Sciences Faculty Papers

The extraction kinetics and equilibrium concentrations of caffeine and 3-chlorogenic acid (3-CGA) in cold brew coffee were investigated by brewing four coffee samples (dark roast/medium grind, dark roast/coarse grind, medium roast/medium grind, medium roast/coarse grind) using cold and hot methods. 3-CGA and caffeine were found at higher concentrations in cold brew coffee made with medium roast coffees, rather than dark roast. The grind size did not impact 3-CGA and caffeine concentrations of cold brew samples significantly, indicating that the rate determining step in extraction for these compounds did not depend on surface area. Caffeine concentrations in cold brew coarse grind …

Three-Dimensional Nanomaterials For Supercapacitor Applications: From Metal Oxides To Metal Phosphides, Zhi Zheng

University of New Orleans Theses and Dissertations

Over the past few years, energy storage devices have received tremendous interest due to the increasing demand for sustainable and renewable energy in modern society. Supercapacitors are considered as one of the most promising energy storage devices because of their high power density and long cycle life. However, low energy density remains as the main shortcoming for supercapacitors. The overall performance of supercapacitors is predominantly determined by the characteristics of the electrodes. Specifically, constructing nanostructured electrode material has been proven as an efficient way to improve the performance by providing large surface area and short ionic and electronic diffusion paths. …

Fabrication And Characterization Of Intricate Nanostructures, Treva T. Brown

University of New Orleans Theses and Dissertations

Encapsulation of nanoparticles within hexaniobate nanoscrolls presents interesting advances in the formation of nanocomposites exhibiting unique multi-dimensional properties. Building upon previous successes, facile yet versatile wet-chemical and microwave-irradiation synthetic protocols for the fabrication of a series of hexaniobate composites are presented herein. Solvothermal and, more recently, microwave-assisted methods have been developed that allow for the fabrication of peapod-like structures. During solvothermal treatment, exfoliated hexaniobate nanosheets scroll around highly ordered chains of preformed nanoparticles (NPs) to produce nanopeapods (NPPs). This approach offers versatility and high yields, in addition to the potential for advanced functional device fabrication.

For the characterization of these …

Changes In Enzyme Structural Dynamics Studied By Hydrogen Exchange-Mass Spectrometry: Ligand Binding Effects Or Catalytically Relevant Motions?, Courtney S Fast, Siavash Vahidi, Lars Konermann

Chemistry Publications

It is believed that enzyme catalysis is facilitated by conformational dynamics of the protein scaffold that surrounds the active site, yet the exact nature of catalytically relevant protein motions remains largely unknown. Hydrogen/deuterium exchange (HDX) mass spectrometry (MS) reports on backbone H-bond fluctuations. HDX/MS thus represents a promising avenue for probing the relationship between enzyme dynamics and catalysis. A seemingly straightforward strategy for such studies involves comparative measurements during substrate turnover and in the resting state. We examined the feasibility of this approach using rabbit muscle pyruvate kinase (rM1-PK) which catalyzes the conversion of phosphoenolpyruvate and Mg-ADP to pyruvate and …

Testing The Underlying Chemical Principles Of The Biotic Ligand Model (Blm) To Marine Copper Systems: Measuring Copper Speciation Using Fluorescence Quenching, Tara N. Tait, James C. Mcgeer, Scott Smith

Chemistry Faculty Publications

Speciation of copper in marine systems strongly influences the ability of copper to cause toxicity. Natural organic matter (NOM) contains many binding sites which provides a protective effect on copper toxicity. The purpose of this study was to characterize copper binding with NOM using fluorescence quenching techniques. Fluorescence quenching of NOM with copper was performed on nine sea water samples. The resulting stability con- stants and binding capacities were consistent with literature values of marine NOM, show- ing strong binding with log K values from 7.64 to 10.2 and binding capacities ranging from 15 to 3110 nmole mg C ^{−1 …}

The Role Of Catalytic Residue PKA On The Hydrolysis/Transglycosylation Partition In Family 3 Β-Glucosidases, Inacrist Geronimo, Christina M. Payne, Mats Sandgren

Chemical and Materials Engineering Faculty Publications

β-Glucosidases (βgls) primarily catalyze the hydrolysis of the terminal glycosidic bond at the non-reducing end of β-glucosides, although glycosidic bond synthesis (called transglycosylation) can also occur in the presence of another acceptor. In the final reaction step, the glucose product or another substrate competes with water for transfer to the glycosyl-enzyme intermediate. The factors governing the balance between the two pathways are not fully known; however, the involvement of ionizable residues in binding and catalysis suggests that their pK_a may play a role. Through constant pH molecular dynamics simulations of a glycoside hydrolase Family 3 (GH3) βgl, we …

Emissions Of Organic Compounds From Produced Water Ponds, Seth Lyman

Browse all Datasets

We measured fluxes of methane, a suite of non-methane hydrocarbons (C2-C11), light alcohols, and carbon dioxide from oil and gas produced water storage and disposal ponds in Utah (Uinta Basin) and Wyoming (Upper Green River Basin) United States during 2013-2016. In this paper, we discuss the characteristics of produced water composition and air-water fluxes, with a focus on flux chamber measurements. In companion papers, we will (1) report on inverse modeling methods used to estimate emissions from produced water ponds, including comparisons with flux chamber measurements, and (2) discuss the development of mass transfer coefficients to estimate emissions and place …

Quantum Chemical Studies Of Noncovalent Interactions And Multicenter Bonds Utilizing Local Vibrational Modes, Vytor Oliveira

Chemistry Theses and Dissertations

Noncovalent interactions play an important role for the design of novel drugs, better catalysts, synthesis of complex supramolecular structures, and so on. To develop new materials, a well-founded knowledge of how to control the strength of these interactions is desirable. Despite the many investigations done so far, a quantitative assessment of the intrinsic strength of most types of noncovalent interactions is still missing. Recently and for the first time, the Konkoli-Cremer local modes analysis was successfully used to probe the intrinsic strength of hydrogen and pnicogen bonds. We extended these investigations to more than 300 halogen and chalcogen bonds. A …

Adsorbed Gas Behaviour And Guest-Host Interactions In Ultramicroporous Metal-Organic Frameworks, Bligh Desveaux

Electronic Thesis and Dissertation Repository

Metal-organic frameworks (MOFs) are a class of porous materials that have attracted much attention due to their large surface areas, high tunability and their high selectivity for gas adsorption applications. In this work, solid-state nuclear magnetic resonance (SSNMR) experiments and single crystal X-ray diffraction (SCXRD) experiments are used to investigate carbon dioxide adsorption within the ultramicroporous MOFs SIFSIX-3-Zn (Chapter 2) and ZnAtzOx. (Chapter 3). Analysis finds that the CO₂ SIFSIX-3-Zn undergoes wobbling motions with a low temperature dependence, and in ZnAtzOx undergoes wobbling and hopping motions with a low temperature dependence. SCXRD is used to precisely determine the CO …

Fluoroethoxy-1,4-Diphenethylpiperidine And Piperazine Derivatives: Potent And Selective Inhibitors Of [3H]Dopamine Uptake At The Vesicular Monoamine Transporter-2, Emily R. Hankosky, Shyam R. Joolakanti, Justin R. Nickell, Venumadhav Janganati, Linda P. Dwoskin, Peter A. Crooks

Pharmaceutical Sciences Faculty Publications

A small library of fluoroethoxy-1,4-diphenethyl piperidine and fluoroethoxy-1,4-diphenethyl piperazine derivatives were designed, synthesized and evaluated for their ability to inhibit [³H]dopamine (DA) uptake at the vesicular monoamine transporter-2 (VMAT2) and dopamine transporter (DAT), [³H]serotonin (5-HT) uptake at the serotonin transporter (SERT), and [³H]dofetilide binding at the human-ether-a-go-go-related gene (hERG) channel. The majority of the compounds exhibited potent inhibition of [³H]DA uptake at VMAT2, with Ki values in the nanomolar range (K_i = 0.014–0.073 μM). Compound 15d exhibited the highest affinity (K_i = 0.014 μM) at VMAT2, and had 160-, 5-, …

Assessing And Enhancing Nuclear Safety And Security Culture For Small Facilities That Handle Radioactive Material, Solymosi Máté

International Journal of Nuclear Security

The use of radioactive sources is expanding all over the world and abreast the necessity of the enhancement of its safe and secure application is increasing too. In the nuclear industry, the safety and security are top priorities since decades. They share the same goal, to protect humans from the negative affect of the ionizing radiation. The human component of them is a significant factor and technical solutions can protect us so far and thus the culture for safety and security become a major focus. On the other hand, there are still some contradiction between recommendations and international guidance of …

Synthesis, Characterization, And Spectroscopy Of Donor-Acceptor Charge Transfer Complexes, Dominic K. Kersi

Chemistry and Chemical Biology ETDs

A series of square-planar metal (diimine)(dichalcogenolene) chromophoric complexes have been synthesized, characterized and studied spectroscopically. Studies conducted on diimineplatinum(II) dichalcogenolene complexes (LPtL’) using time resolved spectroscopic techniques such as transient absorption and emission, reveal a charge-separated excited state of the type dichalcogenolene → diimine charge-transfer (LL’CT) [(dichalcogenolene^•+)Pt(diimine^•-) with an open shell donor-acceptor biradical character. Long-live excited state lifetimes were observed for these complexes upon visible photoexcitation of the LL’CT or MMLL’CT band. A direct linear relationship is observed to exist between photoluminescence rates, calculated SOC matrix elements, and ¹³C-NMR chemical shifts.

A series of …

Two-Component Hydrogel As Biomimetic Vitreous Substitutes, Sruthi Santhanam

McKelvey School of Engineering Theses & Dissertations

The vitreous humor of the eye is a biological hydrogel principally composed of fibrillary collagen interspersed with semi-flexible polyelectrolyte, hyaluronic acid (HA). Certain pathological conditions necessitate its removal and replacement. Current vitreous substitutes, such as silicone oils and perfluorocarbons, are hydrophobic, do not resemble the properties of the vitreous, and have known complications. An ideal vitreous substitute should have properties of the natural vitreous, perform its functions, and be biocompatible in the eye. Inspired by the structure and composition of the natural vitreous, we used bio-mimicry to develop an injectable two-component hydrogel. The hydrogel is composed of a fibrillary gellan, …