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2014

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Articles 61 - 90 of 172

Full-Text Articles in Physical Chemistry

Electrochemical Catalysis: A Dft Study, Li Li, Zi-Dong Wei Aug 2014

Electrochemical Catalysis: A Dft Study, Li Li, Zi-Dong Wei

Journal of Electrochemistry

In this review, we focus on achievements in electro-catalysis based on the density function theory study. The relationships among the electrode potential, electronic structure of catalysts and electro-catalytic activity are summarized in three parts: the adsorption and desorption of species, electron transfer, and stability of catalysts. The electrode potential and the electronic structure (d-band center or Fermi (HOMO) energy) of catalysts significantly influence the formation, adsorption and desorption of surface species on electrode. The electro-catalytic activity can be improved by modulating the electrode potential and electronic structure of catalysts.

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Investigation Of The Dynamics Of Photocarriers During Photoelectrochemical Water Splitting By Combination Of Photoelectrochemistry And Transient Absorption Spectroscopy, Wen-Hua Leng Aug 2014

Investigation Of The Dynamics Of Photocarriers During Photoelectrochemical Water Splitting By Combination Of Photoelectrochemistry And Transient Absorption Spectroscopy, Wen-Hua Leng

Journal of Electrochemistry

Semiconductor photoelectrochemical hydrogen production is an important and promising technology for utilizing solar energy. The efficiency of hydrogen production depends on the efficiencies of separation and transport of photo-generated carriers. A deep understanding of the behavior of these processes has guiding significance for designing efficient solar hydrogen device. photoelectrochemical and transient absorption spectroscopy methods are powerful tool for studying the microscopic dynamics and mechanism of photocatalytic reaction. This review describes the part of the latest results of the author regarding the semiconductor photoelectrochemical hydrogen production obtained by these methods,and the problems and future research priorities in this field are proposed.

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Recent Progress In The Mechanistic Understanding Of Formic Acid Oxidation On Pt Electrode, Jie Xu, Dao-Chuan Jiang, Dong Mei, Zheng-Da He, Yan-Xia Chen Aug 2014

Recent Progress In The Mechanistic Understanding Of Formic Acid Oxidation On Pt Electrode, Jie Xu, Dao-Chuan Jiang, Dong Mei, Zheng-Da He, Yan-Xia Chen

Journal of Electrochemistry

This article reviews the recent progress in understanding of the mechanisms for formic acid oxidation on Pt electrode. There are two pathways for formic acid oxidation on Pt electrode: (1) Indirect Pathway through which HCOOH is oxidized to CO2 through COad intermediate. This pathway contributes only 1% of the total current; (2) Direct Pathway where HCOOH is oxidized directly to CO2. The results from IR Spectroscopy, single-crystal electrochemistry and DFT calculation all support that the bridge-bonded formate is neither the intermediate of direct pathway nor the precursor for COad formation in indirect pathway. Possible mechanism …

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Preparation And Lithium Storage Performance Of Sn-Snsb Nanoparticles, Yao Xiao, Jiao-Hong Wu, Qi Wang, Ling Huang, Jun-Tao Li, Shi-Gang Sun Aug 2014

Preparation And Lithium Storage Performance Of Sn-Snsb Nanoparticles, Yao Xiao, Jiao-Hong Wu, Qi Wang, Ling Huang, Jun-Tao Li, Shi-Gang Sun

Journal of Electrochemistry

Tin was widely studied as alternative anode material to carbon for lithium-ion batteries thanks to its much higher theoretical capacity. However, a pure tin electrode suffers severely from its poor cycleability due to mechanical fatigue caused by volume change during lithium insertion and extraction processes. Tin-based alloy may improve the cycleability property of tin electrode. In this article, we report facile synthesis of spherical Sn-SnSb nanopartciles using a simple solvent-thermal approach. It is amazing to find that the spherical Sn-SnSb nanoparticles can circumvent volume changes effectively during charge-discharge process. Electrochemical discharge/charge results show that the spherical Sn-SnSb nanoparticles electrode exhibits …

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High Sensitive Detection Of Cd(Ii) And Pb(Ii) Based On Antimony-Film Covered Pencil Core Electrodes, Shan Chen, Zhao-Yan Zheng, Yi-Min Fang, Li-Qing Zheng, Jian-Jun Sun Aug 2014

High Sensitive Detection Of Cd(Ii) And Pb(Ii) Based On Antimony-Film Covered Pencil Core Electrodes, Shan Chen, Zhao-Yan Zheng, Yi-Min Fang, Li-Qing Zheng, Jian-Jun Sun

Journal of Electrochemistry

In this paper, a pencil core was used as the substrate for an antimony-film electrode for simultaneous detection of Cd(II) and Pb(II) by square-wave anodic stripping voltammetry (SWASV). With the deposition time of 180 s, the low limit of detection (LOD) for the electrode was determined to be 0.075·g?L-1 for Cd(II), while 0.13·g·L-1 for Pb(II) with good reproducibility in low pH solutions (pH = 2). The results show a much lower LOD than that of bismuth-film pencil core electrode. Finally, this antimony-film electrode was successfully applied to determine Cd(II) and Pb(II) in tap water.

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A Sensitive And Label-Free Electrochemical Aptasensor Based On Signal Amplification Of Carbon Nanotubes, Chun-Yan Deng, Hui-Min Fan, Juan Xiang, Yuan-Jian Li Aug 2014

A Sensitive And Label-Free Electrochemical Aptasensor Based On Signal Amplification Of Carbon Nanotubes, Chun-Yan Deng, Hui-Min Fan, Juan Xiang, Yuan-Jian Li

Journal of Electrochemistry

A label-free electrochemical sensing electrode for highly sensitive detection of adenosine was constructed based on the signal amplification of carbon nanotubes (CNTs). The change in the interfacial feature of the modified electrode was characterized by electrochemical impedance spectroscopy. Using [Ru(NH3)6]3+ as the signaling moiety, adenosine with concentrations as low as 0.027 nmol·L-1 can be selectively detected. Additionally, the fabrication of this present aptasensor was simple, time-saving and cost-effective. Compared with other reported aptasensors, the proposed aptasensor had advantages of excellent sensitivity, selectivity and simplicity, which plays a potential role in development of aptasensor.

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Determining Force Field Parameters Involved With Metal Organic Framework Synthesis, Marcus A. Tubbs, David Cantu, Vanda Glezakou Aug 2014

Determining Force Field Parameters Involved With Metal Organic Framework Synthesis, Marcus A. Tubbs, David Cantu, Vanda Glezakou

STAR Program Research Presentations

Metal organic frameworks (MOFs) are synthetic materials made of a cage-like lattice with consistently spaced pores. The size of these pores are the defining characteristic of a MOF, as it determines which gases are allowed to pass through and which can be trapped. Examples of their potential use can be greenhouse gas sequestration or storage. Currently, the synthesis of MOFs is based on trial-and-error, and the successes are not well understood. We are working on building the theoretical framework that describes how a particular MOF, MIL-101, comes together during synthesis. Our initial approach was to simulate the possible reactions with …

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Does A Plastron Improve Heat Transfer?, Madani A. Khan, Jeffrey Alston, Andrew Guenthner Aug 2014

Does A Plastron Improve Heat Transfer?, Madani A. Khan, Jeffrey Alston, Andrew Guenthner

STAR Program Research Presentations

Superamphiphobic surfaces strongly repel both water and oils. In this work, aluminum coupons are processed by sanding with various grit of sand paper to impart microscale roughness. Subsequent submersion of the aluminum substrate in boiling water grows nanoscale grass-like structures. The oxide layer of Al is slightly soluble in water. During a fast diffusion/equilibrium, Al2O3 nanograss grows on the surface. A low energy coating is then deposited on the surface. The micro and nanoscale features create re-entrant structures that trap air enabling contact liquid to be in a Cassie-Baxter state. Superamphiphobicity of the samples were confirmed by …

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Isotropic Oscillator Under A Magnetic And Spatially Varying Electric Field, David L. Frost Mr., Frank Hagelberg Aug 2014

Isotropic Oscillator Under A Magnetic And Spatially Varying Electric Field, David L. Frost Mr., Frank Hagelberg

Undergraduate Honors Theses

We investigate the energy levels of a particle confined in the isotropic oscillator potential with a magnetic and spatially varying electric field. Here we are able to exactly solve the Schrodinger equation, using matrix methods, for the first excited states. To this end we find that the spatial gradient of the electric field acts as a magnetic field in certain circumstances. Here we present the changes in the energy levels as functions of the electric field, and other parameters.

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Heat Release Of Polyurethanes Containing Potential Flame Retardants Based On Boron And Phosphorus Chemistries, Vladimir Benin, Bastien Gardelle, Alexander Morgan Aug 2014

Heat Release Of Polyurethanes Containing Potential Flame Retardants Based On Boron And Phosphorus Chemistries, Vladimir Benin, Bastien Gardelle, Alexander Morgan

Chemistry Faculty Publications

Using a polyurethane of methylene diphenyl isocyanate and 1,3-propane diol, several new non-halogenated aromatic boron and phosphorus flame retardants were evaluated for heat release reduction potential using the pyrolysis combustion flow calorimeter (PCFC). The polyurethanes were prepared in the presence of the potential flame retardants via solvent mixing and copolymerization methods, and were then analyzed via spectroscopic methods to determine if the flame retardant was still present in the final product. PCFC testing on the resulting products showed that the flame retardant molecule can have different effects on heat release depending upon how it is mixed into the polyurethane. Some …

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Fundamental Studies On Copper Zeolites For Catalytic No X Abatement, Anuj Arun Verma Jul 2014

Fundamental Studies On Copper Zeolites For Catalytic No X Abatement, Anuj Arun Verma

Open Access Dissertations

Stringent regulations in mobile NOx emissions have resulted in the development of Standard Selective Catalytic Reduction (SCR) as the dominant NOx abatement technology in lean burn diesel engines. Standard SCR is a reaction of nitric oxide (NO) with ammonia (NH3), in the presence of oxygen (O 2) to form nitrogen (N2) and water (H2O). Copper containing zeolites show commercially viable SCR performance. Cu-SSZ-13 (CHA framework), a member of this family, is a preferred catalyst for SCR applications because it shows exceptional hydrothermal stability in addition to commercially viable SCR performance. Our work focuses …

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Determination Of Corrosion Inhibitor Lubricity Improver In Jet Fuel By Liquid Chromatography-Electrospray Ionization Mass Spectrometry, David W. Johnson, Milissa Flake, Ryan Adams Jul 2014

Determination Of Corrosion Inhibitor Lubricity Improver In Jet Fuel By Liquid Chromatography-Electrospray Ionization Mass Spectrometry, David W. Johnson, Milissa Flake, Ryan Adams

Chemistry Faculty Publications

Military jet fuel (JP-8) is very similar to commercial jet fuel (Jet A) except for the presence of three additives, fuel system icing inhibitor, corrosion inhibitor–lubricity improver (CI-LI), and antistatic additive, which are added to improve characteristics of JP-8. Of particular interest is the CI-LI additive; the most common active ingredient is a dimer of linoleic acid. This article focuses on quantification of the active ingredient in the CI-LI additive by liquid chromatography–mass spectrometry (LC–MS). This method will allow the determination of CI-LI content in military jet fuel samples.

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Gas-Phase Ion/Ion Reactions Of Biomolecules: An Examination Of Carboxylate Reactivity And Arginine Based Non-Covalent Complexes, Nathan Zachary Barefoot Jul 2014

Gas-Phase Ion/Ion Reactions Of Biomolecules: An Examination Of Carboxylate Reactivity And Arginine Based Non-Covalent Complexes, Nathan Zachary Barefoot

Open Access Theses

The advent of Electrospray Ionization with the ability to generate multiply charges ions has contributed significantly to the study of gas-phase ion/ion reactions. With the tools available in mass spectrometry it has been shown that these reactions are effective at transforming one type of gaseous ion into another through a series of reactions. This work examines some of these reactions and their application to field of proteomics specifically focusing on the amino acids of arginine and lysine. NHS reagents have been shown to react to both of these molecules with in the gas-phase under different conditions but have relies on …

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Characterization Of Water-Solid Interactions In Crystalline Ingredients And Development Of Deliquescence Measurement Recommendations, Matthew C. Allan Jul 2014

Characterization Of Water-Solid Interactions In Crystalline Ingredients And Development Of Deliquescence Measurement Recommendations, Matthew C. Allan

Open Access Theses

There are five major mechanisms of water-solid interactions. The primary focus of this thesis was on two of these: deliquescence and hydrate formation. Many crystalline food ingredients are deliquescent compounds (e.g., NaCl, sucrose, and ascorbic acid) and some are both deliquescent and hydrate formers (e.g., glucose, thiamine HCl, citric acid). Deliquescence is the first order phase transformation of a crystalline solid to a solution above a critical relative humidity (RH) known as the deliquescence point (RH0). A crystalline hydrate is a pseudo-polymorph in which water is incorporated into the crystal structure, altering the molecular formula and the physical properties.^ To …

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A New Silver Electrode Based On The Composite Silver Sulfide/Attapulgite As Ionophore, Wen-Zhuo Li, Ding-Jia Xu, Jun Wang, Jian-Long Wang Jun 2014

A New Silver Electrode Based On The Composite Silver Sulfide/Attapulgite As Ionophore, Wen-Zhuo Li, Ding-Jia Xu, Jun Wang, Jian-Long Wang

Journal of Electrochemistry

A novel silver ion selective electrode with its ionophore being a kind of organic/inorganic composite composed of silver sulfide and attapulgite has been prepared. Attapulgite is a type of natural inorganic polymer which has some properties similar to zeolite, such as a higher specific surface area and plenty of intercrystalline cavities. In this work, the silver ions were firstly adosrbed in the micropores of the attapulgite, then thioacetamidetiny was selected to mix with the prepared silver ions/ attapulgite composite. Owning to the existence of sulfur atoms in the structure of thioacetamide molecules, thioacetamide molecules can react with the silver ions/attapulgite …

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Key Factors And Techno-Economic Analyses Of Manganese Electrolysis Process, Gui-Mei Han, Fu-Yuan Xu, Lin-Hua Jiang, Zhi-Gang Dan, Xiao-Juan Gao, Ning Duan Jun 2014

Key Factors And Techno-Economic Analyses Of Manganese Electrolysis Process, Gui-Mei Han, Fu-Yuan Xu, Lin-Hua Jiang, Zhi-Gang Dan, Xiao-Juan Gao, Ning Duan

Journal of Electrochemistry

This paper first studied the key factors affecting the initial manganese electrolysis process, including concentration of Mn2+, electrolysis time, overpotential, and then optimized these processing parameters with the chronocoulometry method under a three-electrode system. The results showed that, during the initial manganese electrolysis process, hydrogen evolution occurred more significantly on the stainless steel surface. As electrolysis process continued, manganese covered the stainless steel surface gradually, and hydrogen evolution reaction restrained which all contributed to the higher current efficiency. Besides, the limiting current density appeared at high overpotential region, and the reaction was controlled by diffusion process. In 0.02 …

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Surface Enhanced Raman Spectroscopic Studies Of Pyridine Adsorbed On Ti/Au@Sio2 Film Electrode, Min-Min Xu, Ke Liu, Qing-Hua Guo, Jian-Lin Yao Jun 2014

Surface Enhanced Raman Spectroscopic Studies Of Pyridine Adsorbed On Ti/Au@Sio2 Film Electrode, Min-Min Xu, Ke Liu, Qing-Hua Guo, Jian-Lin Yao

Journal of Electrochemistry

This study was performed based on shell-isolated nanoparticles-enhanced Raman spectroscopy (SHINERS) technology. The Au@SiO2 nanoparticles were prepared and characterized by TEM and cyclic voltammetry. It was shown that the shell of SiO2 was compact. The high quality signal measured by surface enhanced Raman spectroscopy (SERS) was obtained from the adsorbed pyridine on Ti/Au@SiO2 electrode. The origin of the SERS signals was further confirmed by testing Pt and Ni electrodes. In addition, potential dependent adsorption behavior was investigated. It was found that pyridine was adsorbed parallel on the surface from -0.1 V to -0.6 V, and converted to …

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Horseradish Peroxidase-Attapulgite Clay Nanocomposites: Fabrication And Application To Sensing The Extracellular H2O2 Released From Cells, Ping Wu, Chen-Xin Cai Jun 2014

Horseradish Peroxidase-Attapulgite Clay Nanocomposites: Fabrication And Application To Sensing The Extracellular H2O2 Released From Cells, Ping Wu, Chen-Xin Cai

Journal of Electrochemistry

The nanostructured attapulgite clay was employed as a support matrix for immobilizing horseradish peroxidase (HRP). FTIR and electrochemical methods demonstrated that HRP had been effectively assembled on attapulgite surface with the formation of HRP-attapulgite nanocomposites. The HRP-attapulgite hybrid was deposited on the glassy carbon (GC) electrode forming the HRP-attapulgite/GC electrode. Cyclic voltammetric results showed a pair of well-defined redox peaks, which were ascribed to direct electron transfer (DET) of HRP, with the formal potential E0′ = -335 mV (vs. SCE) in the phosphate buffer solution (PBS, pH 7.0). The dependence of E0′ on solution pH indicated …

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Novel Electrochemical Interfaces Based On Functional Nanomaterials And Their Related Applications, Cheng-Zhou Zhu, Lei Han, Shao-Jun Dong Jun 2014

Novel Electrochemical Interfaces Based On Functional Nanomaterials And Their Related Applications, Cheng-Zhou Zhu, Lei Han, Shao-Jun Dong

Journal of Electrochemistry

Due to the unique optical, electronic, magnetic and catalytic properties, functional nanomaterials provide new opportunities for the rapid development in a variety of disciplines and show considerable promise in different fields. Specifically, constructions of the novel electrochemical interface using various nanomaterials and exploring their advanced electrochemical properties have received great attention to develop electrochemical devices with potential applications. In this account, we focus on our up-to-date progress in the construction of novel electrochemical interfaces based on nanomaterials, mainly highlighting our research advances on electrochemical sensors, fuel cells and fluorescence spectroelectrochemistry. These novel advanced nanomaterials endow them excellent performances and open …

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Preparation And Photocatalytic Properties Of Zno Nanorod Arrays On Ti Substrates, Jia-Ming Yang, Ling-Jun Han, Li-Ping Zhong, Zhen-Hai Liang Jun 2014

Preparation And Photocatalytic Properties Of Zno Nanorod Arrays On Ti Substrates, Jia-Ming Yang, Ling-Jun Han, Li-Ping Zhong, Zhen-Hai Liang

Journal of Electrochemistry

In this paper, the uniform ZnO nanorod arrays were prepared by galvanostatic electrodeposition on Ti Substrates. The morphology and structure of samples were characterized by scanning electron microscopy (SEM) and X-ray diffraction (XRD). The effects of the concentration of Zn(NO3)2 and the deposition current on the morphology of the ZnO nanorod arrays were investigated. Photocatalytic properties of ZnO nanorod arrays were investigated by degradation of methyl orange (MO) under UV-light irradiation. The analysis revealed that the concentration of Zn(NO3)2 and the deposition current strongly influenced the morphology of the ZnO nanorod arrays. Compared with …

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The Ionic Diffusion Model For The Solid Oxide Cathode And Its Verification By The Electrolysis Of Ta2O5 In Molten Cacl2, Hua-Lin Chen, Zhi-Yong Wang, Xian-Bo Jin, George Z. Chen Jun 2014

The Ionic Diffusion Model For The Solid Oxide Cathode And Its Verification By The Electrolysis Of Ta2O5 In Molten Cacl2, Hua-Lin Chen, Zhi-Yong Wang, Xian-Bo Jin, George Z. Chen

Journal of Electrochemistry

The deoxidation speed of a solid oxide cathode in molten CaCl2 can be estimated by the PRS steady diffusion model of O2-, which correlates the deoxidation speed with the precursor porosity, P, the metal-to-oxide molar volume ratio, R, and the cathode volume shrinkage S. The PRS model indicates that the porosity of the oxide cathode has important influence on the deoxidation speed, and provides a very simple equation for the prediction of the optimal cathode porosity. For the electrolysis of Ta2O5, the porosity of the cathode is better to be within 50%. …

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Effects Of Conformational Transformations On Electronic Transport Properties Of Optical Molecular Switches: An Ab Initio Study, Yuan-Yuan He, Jian-Wei Zhao Jun 2014

Effects Of Conformational Transformations On Electronic Transport Properties Of Optical Molecular Switches: An Ab Initio Study, Yuan-Yuan He, Jian-Wei Zhao

Journal of Electrochemistry

A series of model molecules with 4 kinds of conformational transformations have been investigated as optical molecular switches by using density functional theory combined with nonequilibrium Green’s function method. The theoretical calculations show that molecules after conformational transformations have photoswitching characteristics. We find that the photochromic molecules with the same conformational transformation usually have a similar current on/off state when they are applied as photoshwitches. Among these transformations, the molecular switch with E(“trans”)/Z(“cis”)-isomerisation of the NN double bond has the highest current on-off ratio. The influences of the energy gap (HLG) between the highest occupied molecular orbital (HOMO) and the …

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Microfabrication And Redox Properties Of The Single Microcrystal Of Na3Co(Cn)6/Nacl Solid Solution, Yi-Liang Zhu, De-Zhi Yang, Ya-Qiong Su, De-Yin Wu, Zhong-Qun Tian, Dong-Ping Zhan Jun 2014

Microfabrication And Redox Properties Of The Single Microcrystal Of Na3Co(Cn)6/Nacl Solid Solution, Yi-Liang Zhu, De-Zhi Yang, Ya-Qiong Su, De-Yin Wu, Zhong-Qun Tian, Dong-Ping Zhan

Journal of Electrochemistry

Although the molecular structures are similar to each other, the redox property of Co(CN)63- at solid/liquid interface is not so good as Fe(CN)63-. In this paper, scanning electrochemical microscopy (SECM) was adopted to construct an electrochemical microsystem with a volume of fL~pL, in which a micropipette with micrometer-sized orifice was employed as the scanning tip. Due to the evaporation of water, the NaCl electrolyte is concentrated to form a microcrystal. During the crystallization, the redox species Co(CN)63- replaced the sites of NaCl65- unit due to their matching lattice parameters, i.e., the …

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23Na Mas Nmr Spectroscopic Study Of Na2Mnpo4F As Cathode Material For Sodium-Ion Battery, Xu Hou, Gui-Ming Zhong, Xiao-Chen Lin, Zi-Geng Liu, Xiao-Biao Wu, Yong Yang Jun 2014

23Na Mas Nmr Spectroscopic Study Of Na2Mnpo4F As Cathode Material For Sodium-Ion Battery, Xu Hou, Gui-Ming Zhong, Xiao-Chen Lin, Zi-Geng Liu, Xiao-Biao Wu, Yong Yang

Journal of Electrochemistry

The Na2MnPO4F is one of the promising cathode materials for the sodium ion batteries. In the paper, we employed the ex situ X-ray diffraction and solid state NMR techniques to study the charge and discharge processes of this material, including the crystal structure and sodium sites changes. The ex situ x-ray diffraction patterns showed that two new diffraction peaks could be observed at 31o and 36o indicating an intermediate phase formed with the extraction of Na+. From the 23Na MAS NMR spectrum of the material, three peaks were seen at -209 …

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Effects Of Oxygen Coverage And Hydrated Proton Model On The Dft Calculation Of Oxygen Reduction Pathways On The Pt(111) Surface, Li-Hui Ou, Sheng-Li Chen Jun 2014

Effects Of Oxygen Coverage And Hydrated Proton Model On The Dft Calculation Of Oxygen Reduction Pathways On The Pt(111) Surface, Li-Hui Ou, Sheng-Li Chen

Journal of Electrochemistry

DFT calculation is used to study various possible steps in the oxygen reduction reaction (ORR), including the adsorption and dissociation process of O2 and the serial protonation process of dissociated products to form H2O on the Pt(111) surface. By using slabs of different sizes, and different numbers of pre-adsorbed oxygen atoms, the coverage effects on the pathways are investigated. The calculated results using different hydrated proton models are also compared. It is shown that the initial step of the ORR is the formation of a protonated end-on chemisorbed state of OOH*, which can transform to an unprotonated …

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Electrochemistry At Liquid/Liquid Interfaces And Its Recent Progresses, Jing Gu, Yong-Hui Qiao, Xin-Yu Zhu, Xiao-Hong Yin, Xin Zhang, Ye Chen, Zhi-Wei Zhu, Yuan-Hua Shao Jun 2014

Electrochemistry At Liquid/Liquid Interfaces And Its Recent Progresses, Jing Gu, Yong-Hui Qiao, Xin-Yu Zhu, Xiao-Hong Yin, Xin Zhang, Ye Chen, Zhi-Wei Zhu, Yuan-Hua Shao

Journal of Electrochemistry

Electrochemistry and electroanalytical chemistry at a liquid/liquid interface have attracted much attention in the past few decades since they have been closely related to many applications including exploration in mechanisms of extraction processes and chemical sensing, as well as investigations in phase transfer catalysis, drug release and mimicking the function of biological membranes. In this review, recent progresses in this field in the last decade, especially the investigations in microstructure of liquid/liquid interface, charge (ion and electron) transfer reactions and functionalization of liquid/liquid interfaces, are reviewed.

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Nitroxide Radicals For Low Frequency Electron Paramagnetic Resonance Imaging (Epri), Joshua R. Biller Jun 2014

Nitroxide Radicals For Low Frequency Electron Paramagnetic Resonance Imaging (Epri), Joshua R. Biller

Electronic Theses and Dissertations

Optimization of nitroxides as probes for EPR imaging requires detailed understanding of spectral properties such as spin lattice relaxation times, spin packet linewidths, and nuclear hyperfine splitting. Initial measurements of relaxation times for six low molecular weight nitroxides at X-band stimulated further measurement at frequencies between 250 MHz and 34 GHz. The impact of tumbling was studied with perdeuterated 2,2,6,6-tetramethyl-4-piperidinyl-1-oxyl (PDT) in five solvents with viscosities resulting in tumbling correlation times, τR, between 4 and 50 ps. A set of three 14N/15N pairs of nitroxides in water was selected such that τR varied between …

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Ab-Initio Study Of H2 Adsorption Upon The 001, 110, And 100 Surface Of Magnesium, Thomas F. Armstrong May 2014

Ab-Initio Study Of H2 Adsorption Upon The 001, 110, And 100 Surface Of Magnesium, Thomas F. Armstrong

Theses and Dissertations

Until recently, the only pathway for H2 adsorption onto conventional magnesium thin films was the [001] surface. With the discovery of Mg nanoblade/nanotree fabrication, there are now multiple surfaces for adsorption. A keen understanding of each surface's hydrogen adsorption kinetics is a key part of deciding if these surfaces present a more attractive hydrogen storage material than conventional thin films. This study focused on the use of ab-initio methods to compare the adsorption of H2 molecules onto the [001], [100], and [110] surfaces as well as an analysis of hybrid functionals and their advantages over traditional functionals for minimum energy …

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Organic-Inorganic Hybrid Nanostructures For Solar Cell Applications, Samir Mahdi Abdulalmohsin May 2014

Organic-Inorganic Hybrid Nanostructures For Solar Cell Applications, Samir Mahdi Abdulalmohsin

Theses and Dissertations

The enticing electro-optical properties of nanostructured materials such as carbon nanotubes, graphene, CdS nanocrystals and ZnO nanowrie bring new vigor into the innovation of photovoltaics. The main purpose of this dissertation is to develop novel nano-structured materials for low cost solar cell applications. Fabrication, characterization, and solar cell application of organic-inorganic hybrid structures are the main focus of this research. Polyaniline (PANI)/multi-walled carbon nanotube (MWNT) composite films were synthesized by an electrochemical polymerization of aniline with airbrushed MWNTs on ITO substrates. It was found that the incorporation of MWNTs in PANI effectively increase the film conductivity with a percolation threshold …

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X-Ray Structure Analysis And Topological Charge Density Studies Of Gossypol Derivatives, Carlos Zelaya May 2014

X-Ray Structure Analysis And Topological Charge Density Studies Of Gossypol Derivatives, Carlos Zelaya

LSU New Orleans Theses and Dissertations

Gossypol and gossypol derivatives are natural byproducts of a variety of cotton plant species that poses interesting chemical, biological, and medicinal properties that are currently heavily researched. Supporting evidence suggest that gossypol and gossypol derivatives act on the Bcl-2 proteins that have been linked to certain cancers. Gossypol amine derivatives, specifically, are actively researched and a variety of amine derivatives have already been synthesized. However, gossypol and its derivatives are challenging compounds to work with because many of its derivatives tend to exist in various tautomeric forms. When analyzing gossypol and its derivatives it is the complex electron configuration that …

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