Chemistry Commons^™

Localized Corrosion Behavior Of Sensitized 304 Stainless Steel By Scanning Reference Electrode Technique, Chen-Qing Ye, Rong-Gang Hu, Rui-Qing Hou, Xiao-Ping Wang, Rong-Gui Du, Chang-Jian Lin

Journal of Electrochemistry

Based on a home-built setup of scanning reference electrode technique, and combined with conventional electrochemical measurements, the localized corrosion behavior of sensitized 304 stainless steel (304ss) had been investigated in this work. The results showed that, the non-sensitized 304ss or 304ss sensitized at 550 oC was susceptible to pitting; while 304ss sensitized at 650 oC or 750 oC suffered severe intergranular corrosion in 10% FeCl3 solution.

Study On Hydrogen Bubble Template Fabrication Of Porous Biomaterials Coatings By Electrochemically Induced Deposition, Hui Wang, Chang-Jian Lin, Ren Hu, Ke-Qin Zhang, Hong-Ping Duan, Xiang Dong

Journal of Electrochemistry

So far, the pore architecture in biomaterials plays a critical role on the cell response and integration between the biomaterials and implanted environment. In this study, porous calcium phosphate (CaP) coatings and CaP/protein composite coatings have been successfully constructed on titanium substrate by using an electrochemically induced deposition technique. The shape, size and pliability of CaP crystals are controlled by electrolyte concentration, temperature, current density, time and protein additive in preparing process. In addition, the formation mechanism of the porous structure is discussed based on the “hydrogen bubble template” model. It demonstrates that the growth velocity of CaP crystals should …

Effect Of Vanadium Substitution On Structure Of Li2Fesio4/C Composites, Yang Hong, Zhang Ying, Cheng Xuan

Journal of Electrochemistry

The carbon coated lithium iron silicate (Li₂FeSiO₄/C) composites were prepared using less expansive iron starting material of soluble ferric nitrate through sol-gel process and solid state reaction. The theoretically calculated amounts of 5, 10, 15, 20, 25, 30, and 50% of vanadium (V) were introduced using NH₄VO₃ to obtain V-substituted Li2FeSiO4/C composites. It was found that the pure Li₂FeSiO₄/C composite exhibited a good crystallinity with P21/n and nearly no impurities being detected, while the V-substituted Li₂FeSiO₄/C composites showed major impurities of Li₂SiO_{3 …}

Cmk-3/Sulfur Composite (CXSY) And Room-Temperature Na/S Battery, Qing Zhao, Yu-Xiang Hu, Kai Zhang, Li-Jiang Wang, Zhan-Liang Tao, Jun Chen

Journal of Electrochemistry

A series of ordered mesoporous carbon (CMK-3)/sulfur composite (C_xS_y) with different sulfur contents were synthesized via a melt-diffusion method. XRD, Raman, BET, SEM, and TEM techniques were used to characterize the structure and morphology of the as-prepared composite. The electrochemical performance of CMK-3/sulfur composite as the electrode of Na/S battery was tested at room temperature. Cyclic voltammograms show that one obvious reduction peak was located at about 1.61V, which is corresponding to the formation of Na₂S_x (x=2~5), while two oxidation peaks were displayed at about 1.82V and 1.95V, which are belonging to the …

Surface Composition Structure And Electrochemical Performance Of Aluminum Doped Lifepo4, Huai-Fang Shang, Wei-Feng Huang, Wang-Sheng Hu, Ding-Guo Xia, Zi-Yu Wu

Journal of Electrochemistry

Despite there are many successful reports about the preparation of electrode materials with surface coating for lithium ion batteries, the study in surface self-coating of cathode materials using segregation of doping elements and their electrochemical properties is still very rare. The LiFePO₄ particles with rich-Al on the surface were synthesized by one step solvothermal route. TEM results demonstrated that the surface of the obtained LiFePO₄ particles was well-covered by the amorphous coating. The soft X-ray absorption spectroscopy (XAS) and Auger electron spectroscopy (AES) component analyses revealed that the amorphous coating was composed of LiFe_1-xAl_xPO …

Controllable Synthesis Of Dispersed Spherical Fe3O4 Nanoparticles As Lithium-Inserted Materials, Hong-Li Zou, Wei-Shan Li

Journal of Electrochemistry

Dispersed spherical Fe₃O₄ nanoparticles were synthesized by a hydrothermal method. The influences of odecyl trimethyl ammonium bromide (DTAB) concentration on the morphology and particle size of the as-prepared Fe₃O₄ were studied. Electrochemical performance of the as-prepared sample as anode materials of lithium ion battery was investigated. It is found that the as-prepared sample exhibits superior rate performance and cycle performance. The nano-sized materials provide structural stability and favor the transfer of lithium ions.

Electrochemical Na-Storage Materials And Their Applications For Na-Ion Batteries, Jiang-Feng Qian, Xue-Ping Gao, Han-Xi Yang

Journal of Electrochemistry

Oncoming large scale electric energy storage (EES) requires battery systems not only to have sufficient storage capacity but also to be cost-effective and environmentally friendly. Li-ion batteries for widespread EES applications may be limited due to the constraint of global lithium resource. From the considerations of available resources and environmental impact, Na-ion batteries have potential advantages as next generation secondary batteries and an alternative to Li-ion batteries. However, in the present state of the art, the Na-storage cathodes reported so far are still deficient both in energy density and power capability, while the carbon and alloy anodes for Na-ion batteries …

Application Of Synchrotron Radiation Based Electrochemical In-Situ Techniques To Study Of Electrode Materials For Lithium-Ion Batteries, Zheng-Liang Gong, Wei Zhang, Dong-Ping Lv, Xiao-Gang Hao, Wen Wen, Zheng Jiang, Yong Yang

Journal of Electrochemistry

Due to its merits of high brightness and high intensity, high level of polarization and wide tunability in energy, etc., synchrotron radiation technique provides an unique platform for analysis of the relationship among composition–structure–performance of materials for lithium ion batteries, especially for in-situ, real time dynamic investigation of the electrochemical reaction mechanism, aging process and failure mechanism during charge-discharge cycling. In this paper, we review the latest developments in application of synchrotron based electrochemical in-situ experimental methods to studies of lithium ion batteries. The paper mainly focuses on the application of electrochemical in-siu XRD and XAFS techniques to the investigations …

Preparation And Electrochemical Properties Of Amorphous Znsno3/C By Hydrothermally Carbonization Method, Guo-Qing Fang, Rui-Xue Zhang, Wei-Wei Liu, Bing-Bo Xia, Hong-Dan Sun, Hai-Bo Wang, Jing-Jing Wu, Shinko Kaneko, De-Cheng Li

Journal of Electrochemistry

The amorphous ZnSnO₃@C composite was synthesized via a simple glucose hydrothermal and subsequent carbonization approach. The structure, morphology and electrochemical property of the composite were characterized by XRD, TEM and electrochemical measurements. Compared to bare ZnSnO₃, the ZnSnO₃/C composite exhibited markedly enhanced lithium storage property and cycle performance, delivering a reversible capacity of 659 mAh·g^-1 after 100 cycles at a current density of 100 mA·g^-1.

An Investigation On The Solid Electrolyte Interphase Of Silicon Anode For Li-Ion Batteries Through Force Curve Method, Jie-Yun Zheng, Hao Zheng, Rui Wang, Hong Li, Li-Quan Chen

Journal of Electrochemistry

Non-aqueous electrolyte has been widely used in commercial Li-ion batteries. Optimized choices are proceeding among the various types of salts and solvents in an effort to achieve higher performance of electrolyte. However, the electrolyte will be reduced in low potential and the reductive product will be deposited on the surface of anode to form a passivating layer, solid electrolyte interphase (SEI). Herein an atomic force microscopy (AFM) based method was introduced to study the structure and mechanical property of SEI on silicon thin film anode during the first cycle. Silicon has been known as the most potential candidate anode for …

Aqueous Solution-Evaporation Route Synthesis And Phase Structural Research Of The Li-Rich Cathode Li1.23Ni0.09Co0.12Mn0.56O2 By In-Situ Xrd, Chong-Heng Shen, Shou-Yu Shen, Zhou Lin, Xiao-Mei Zheng, Hang Su, Ling Huang, Jun-Tao Li, Shi-Gang Sun

Journal of Electrochemistry

The Li-rich Li_1.23Ni_0.09Co_0.12Mn_0.56O₂ material was synthesized via aqueous solution-evaporation route. The structure and morphology of the material were characterized by means of XRD and SEM. The results indicated that the single particle of the product was polygonal with the size of 330 nm and the structure was layered solid solution with a certain amount of Li₂MnO₃. Electrochemical tests showed that the first discharge capacity of the Li-rich layered material was 250.8 mAh·g^-1 at 0.1C，the capacity retention was 86.5% after 40 cycles. Through in-situ XRD study a …

Synthesis And Electrochemical Property Of Li2Fesio4/C Cathode Material By Solid State Method, Jiao-Li Sun, Zhi-Jiao Chen, Yi-Xiao Li, Hu Cheng

Journal of Electrochemistry

Li2FeSiO4/C cathode material was synthesized using Li₂SiO₃ and FeC₂O₄ as raw materials by solid state method. The structure and morphology of the material were characterized by XRD and SEM. The electrochemical properties of the material were studied by constant-current cyclic testing. The results show that Li₂FeSiO₄/C has a good electrochemical performance. The first discharge capacity of Li₂FeSiO₄/C cathode material at 30oC reached 167 mAhg^-1 when cycled at 10 mAg^-1 between 1.5 and 4.8 V.

Preparation And Electrochemical Properties Of Flake-Like Liv3O8 By Soft Template Assisted Sol-Gel Method As Anode Material For Aqueous Li-Ion Battery, Shuai Tan, Dan Sun, Hai-Yan Wang, Tian-Li Hou, Zhong-Xing Xiao, You-Gen Tang

Journal of Electrochemistry

Anode material has become the key issue for restricting the development of aqueous lithium ion battery (ALIB). Flake-like LiV3O8 materials were synthesized by sol-gel method using sodium dodecyl benzene sulfonate (SDBS) as a template. The XRD and SEM results showed that as-prepared flake-like LiV₃O₈ was of high purity with monoclinic system and P21/m space group. LiMn₂O₄//Li₂SO₄//LiV₃O₈ ALIB was assembled and tested. As observed, the flake-like LiV3O8 here exhibited good high-rate performance and cycling stability. A high discharge capacity of 154 mAh.g^-1 (based on the mass …

Synthesis And Electrochemical Performance Of Nano Licopo4 By Polyol Method, Fei Wang, Yang Jun

Journal of Electrochemistry

High potential LiCoPO₄ cathode material was synthesized by polyol method. Carbon layer of ca. 3 nm thick was coated on the LiCoPO4 surfaces by chemical vapor deposition from methylbenzene. Crystalline structure, morphology and electrochemical performance of the sample were studied by XRD, SEM, TEM, CV and galvanostatic charge/discharge curve. The synthesized material via polyol method showed a pure phase of LiCoPO₄. The LiCoPO₄/C electrode delivered a high discharge capacity of 132 mAh·g^-1 and maintained 78% of the initial capacity after 50 cycles at 0.1C rate. The two-step extraction/insertion behavior of Li⁺ in LiCoPO4/C …

Preparation Of The Particle Size Controllable Lifepo4/C And Its Electrochemical Profile Characterization, Ming-E Wang, Jing-Yuan Liu, Meng-Yan Hou, Yong-Yao Xia

Journal of Electrochemistry

We adopted an effective route to prepare the particle size controllable core-shell structure carbon-coated LiFePO4 from different sized FePO4 precursors, varying from 80 nm, 200 nm and 1 μm by an in situ polymerization method integrated with a surface modification technology. The discharge capacities of the three sized LiFePO₄/C are, respectively, 162 mAh·g^-1, 142 mAh·g^-1 and 92 mAh·g^-1 at 0.1C rate. The nano-sized LiFePO₄-a/C (80 nm) delivers a discharge capacity as large as 100 mAh·g^-1 even at 30C, while the macroscopic LiFePO₄-c/C (1 μm) exhibits a much poorer discharge …

High Resolution X-Ray Diffraction Analysis Of Cb1 Receptor Antagonists As A Means To Explore Binding Affinity, Steven P. Fournet

University of New Orleans Theses and Dissertations

Abstract

Charge density studies have been conducted on ten CB₁ cannabinoid receptor antagonists via high resolution x-ray crystallography. Bond critical point values and various other properties derived from these studies including the electrostatic potential were analyzed in correlation to the affinity of each compound with the CB₁ receptor. Correlation/anti-correlation was found between several properties and K_i. The data was also interpreted by principal component analysis with three principal components accounting for 85% of the data variation. Data mining was limit due to the low sample count and the requirements set for the inclusion of correlated/anti-correlated variables …

Synthesis And Characterization Of Fullerene-Based Hydrogen Storage Materials, Patrick Alan Ward

Doctoral Dissertations

Storing hydrogen safely and efficiently is an area of great interest for the utilization of hydrogen as an energy carrier in transportation applications. The feasibility of using fullerenes in hydrogen storage materials was investigated. Alkali decorated fullerenes Li_xC₆₀ [LixC60] and Na_xC₆₀ [NaxC60] were found to enhance the hydrogen chemisorption and physisorption properties of fullerenes. Although the overall hydrogen physisorption uptake in these materials is low due to the crystalline nature of the material, the isosteric heats of adsorption of fullerenes were increased by lithium doping. C₆₀ [C60] is also capable of acting as …

Magneto-Optical Properties Of Complex Oxides, Peng Chen

Doctoral Dissertations

Complex oxides give rise to rich physics and exotic cross-coupled electronic and magnetic properties. This is because of the competing interaction between charge, structure, and magnetism in the materials. In this dissertation I present a spectroscopic investigation of several model complex oxides under external stimuli of magnetic field and temperature. The compounds of interest include BiFeO₃ [bismuth ferrite] nanoparticles and tetragonal film, Bi_1-xNd_xFeO₃ [neodymium doped bismuth ferrite], α-Fe₂O₃ [hematite], Ni₃V₂O₈ [nickel vanadate], and RIn_1-xMn_xO₃ [manganese doped rare earth indium oxide]. …

Characterization Techniques And Electrolyte Separator Performance Investigation For All Vanadium Redox Flow Battery, Zhijiang Tang

Doctoral Dissertations

The all-vanadium redox flow battery (VRFB) is an excellent prospect for large scale energy storage in an electricity grid level application. High battery performance has lately been achieved by using a novel cell configuration with advanced materials. However, more work is still required to better understand the reaction kinetics and transport behaviors in the battery to guide battery system optimization and new battery material development. The first part of my work is the characterization of the battery systems with flow-through or flow-by cell configurations. The configuration difference between two cell structures exhibit significantly different polarization behavior. The battery output can …

Phosphate Esters, Thiophosphate Esters And Metal Thiophosphates As Lubricant Additives, David W. Johnson, John E. Hils

Chemistry Faculty Publications

Phosphate esters, thiophosphate esters and metal thiophosphates have been used as lubricant additives for over 50 years. While their use has been extensive, a detailed knowledge of how they work has been a much more recent development. In this paper, the use of phosphate esters and thiophosphate esters as anti-wear or extreme pressure additives is reviewed with an emphasis on their mechanism of action. The review includes the use of alkyl phosphates, triaryl phosphates and metal containing thiophosphate esters. The mechanisms of these materials interacting with a range of iron and steel based bearing material are examined.

Applying Computational Methods To Interpret Experimental Results In Tribology And Enantioselective Catalysis, Michael Garvey

Theses and Dissertations

Computational methods are rapidly becoming a mainstay in the field of chemistry. Advances in computational methods (both theory and implementation), increasing availability of computational resources and the advancement of parallel computing are some of the major forces driving this trend.

It is now possible to perform density functional theory (DFT) calculations with chemical accuracy for model systems that can be interrogated experimentally. This allows computational methods to supplement or complement experimental methods. There are even cases where DFT calculations can give insight into processes and interactions that cannot be interrogated directly by current experimental methods.

This work presents several examples …

Solar Energy Conversion And Control Using Organic Photovoltaic Cells, Kurt Wade Woods

Masters Theses & Specialist Projects

Organic photovoltaic (OPV) cells are advanced, newly emerging technologies that are lightweight, mechanically flexible devices with highthroughput processes from low cost material in a variety of colors. Rathnayake et al. of Western Kentucky University have developed a nanostructure-based OPV cell. Presented in this thesis is a model and simulation of a generalized PV powered system that can predict the performance of solar arrays in various environmental conditions. The simulation has been carried out in Matlab/Simulink, and upon entering the cell’s parameters, it provides key electrical characteristics such as the cell’s I-V curve and efficiency information. The total system that is …

Time Dependent Density-Functional Theory - Linear Response, Bryan Edman Sundahl

Masters Theses

The formal derivation of the linear response of time-dependent density-functional theory as shown by E. K. U. Gross is presented. The transformation of formal theory to the working linear response equations in the form of Casida's eigenvalue equation is demonstrated, and the results are applied to small monatomic, diatomic and triatomic systems. The application of different operators to the perturbed density is discussed, with the most attention being given to the dynamic polarizabilities. The dynamic polarizabilities and excitation spectra for N₂ [nitrogen gas] are then analyzed. The first excitation energy is noted to be in line with Koopmans' theorem. …

Monodentate, Bidentate And Photocrosslinkable Thiol Ligands For Improving Aqueous Biocompatible Quantum Dots, Hiroko Takeuchi

Graduate Theses and Dissertations

Water-soluble Quantum Dots (QDs) are highly sensitive fluorescent probes that are often used to study biological species. One of the most common ways to render QDs water-soluble for such applications is to apply hydrophilic thiolated ligands to the QD surface. However, these ligands are labile and can be easily exchanged on the QD surface, which can severely limit their application. As one way to overcome this limitation while maintaining a small colloidal size of QDs, we developed a method to stabilize hydrophilic thiolated ligands on the surface of QDs through the formation of a crosslinked shell using a photocrosslinking approach. …

Neutron Study Of Structured Polymers At Interfaces, Thusitha Etampawala

All Dissertations

This work focuses on interfacial structure and dynamics of structured polymers in thin films and in solutions using neutron techniques accompanied by atomic force microscopy. We probed polymers with a common theme that were highly segregated either because of presence of ionic groups or topological constraints. In these polymers the interfacial regions often define their function in different applications such as clean energy, printing adhesions and drug delivery systems. Thin film studies include systems of polystyrene/sulfonated polystyrene, a rigid sulfonated polyphenylene and polystyrene three-arm stars/linear polystyrene. The first two systems include ionic components and the last exhibits topological constraints. Polystyrene …

Morphology And Conformation Of Polythiophene Derivatives In Anisotropic Core-Shell Nanocomposites And Solution, Neil Redeker

Master's Theses

Conjugated semiconducting polymers have garnered substantial interest in recent years due to the potential for use in various applications, particularly in the field of electronic devices such as photovoltaic cells and light emitting diodes. Conjugated polymers offer numerous advantages in these applications, including low cost and high flexibility, but electronic devices based on these materials are currently limited by poor performance. Because of these limitations, increased focus has been placed on improving conjugated polymers for use in commercially viable products. Here, a novel core shell hybrid nanocomposite based on anisotropic zinc oxide nanowires and a side-chain functionalized polythiophene is reported. …

Characterization Of The Corrosion And Oxide Film Properties Of Alloy 600 And Alloy 800, Melissa Faichuk

Electronic Thesis and Dissertation Repository

The passive film properties of Alloy 600 and Alloy 800, both of which are used as steam generator tubing in CANDU reactors, have been studied using techniques such as polarization scans, electrochemical impedance spectroscopy and X-ray photoelectron and Auger spectroscopies. The composition of the oxides formed in a 0.1 M Na₂S₂O₃ solution have been characterized over a wide range of potentials from the pre-passive, through the passive to the transpassive regions. These changes have been correlated to the electrochemical behaviour. A second set of experiments was performed to determine the effectiveness of the surface mechanical …

An Investigation Of Thin Films Formed On Zinc By Spectroscopic Ellipsometry, Juan Zuo, Ying Chen, Chang-Jian Lin, Andreas Erbe

Journal of Electrochemistry

The formation of natural oxide films on polycrystalline zinc surface, the growth of natural oxide films in different atmospheres, as well as the electrochemical process of metal zinc in alkaline carbonate solution, studied recently by using spectroscopic ellipsometry in our group, are introduced. The objective of this paper is to outline that the optical, electrical properties, the change and growth kinetics of zinc metal oxide film on the surface can be investigated by in-situ and ex-situ ellipsometry, which makes significant sense to evaluate the overall performance of zinc oxide layer.

Corrosion Behavior Of A High Strength Low Alloy Steel Under Hydrostatic Pressure In Deep Ocean, Hai-Jing Sun, Li Liu, Ying Li

Journal of Electrochemistry

The corrosion behavior of a high strength low alloy steel (HSLA steel) in 3.5% NaCl solution under hydrostatic pressure (HP) in deep ocean has been investigated by performing weight loss measurement, obtaining potentiodynamic polarization curve and emplying electrochemical impedance spectroscopy (EIS) using the set up for simulation of deep sea environment in laboratory. The results were compared with that at atmospheric pressure and the influence of HP was emphatically discussed. The results revealed identical corrosion mechanism for HSLA steel at 3.5 × 106 Pa and 1 × 105 Pa. Howevere, the development of such a corrosion process was remarkably accelerated …

An Investigation Of Photocatalytic Degradation Reactions Of Pollutants By Combination Of (Photo)Electrochemical Measurements, Wen-Hua Leng, Hong-Qiao Zhu

Journal of Electrochemistry

Semiconductor photocatalysis plays a critical role in the environment protection and future energy development. (Photo)electrochemical measurements are powerful tools for studying the kinetics and mechanism of photocatalytic reactions, since photo-carriers, as reactants of photocatalytic reactions, are involved in the interfacial transfer and recombination of semiconductor/electrolyte interface. This review describes the part of our recent results regarding aqueous photocatalytic decontamination obtained by these methods, and the focus of future work in this field is suggested.