Electric Current Induced Flow And Electrocapillary Deformation Of Liquid Wood Alloy In Naoh Aqueous Solution,
2017
State Key Laboratory of Advanced Processing and Recycling of Non-ferrous Metal, Lanzhou University of Technology 730050 ,Lanzhou, China;
Electric Current Induced Flow And Electrocapillary Deformation Of Liquid Wood Alloy In Naoh Aqueous Solution, Guo-Di Zhang, Qiao-Li Lin, Jian-Hong Cheng, Rui Cao
Journal of Electrochemistry
The phenomena of the electric current induced flow and electrocapillary deformation for a liquid Wood alloy in a NaOH electrolyte were studied. Electrocapillary behaviors for the liquid Wood alloy in NaOH electrolytes by applying external low voltages were investigated. The electrode reaction (redox reaction) induced the formation or removing removal of an oxide film, and further caused the drop deformation by decreasing or increasing an interfacial tension. The same polar charge in the electric double layer would also decrease the interfacial tension. In order to maintain the stability of system, the contact area of the interface would be expanded, and …
Influence Of Typical Anions In Seawater Environments On Corrosion Behaviors Of 5083 Aluminum Alloy,
2017
Department of Materials Science and Engineering, Shandong Jianzhu University, Jinan 250101, Shandong, China;Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, Liaoning, China;
Influence Of Typical Anions In Seawater Environments On Corrosion Behaviors Of 5083 Aluminum Alloy, Yang-Fan Tu, Li-Ming Feng, Zhi-Gang Fang, Hai-Tao Liu, Ming-Hua Jing, Yong Guan
Journal of Electrochemistry
The interaction effects of typical anions, namely, Cl-, HCO3- and SO42-, presented in seawater environments on corrosion resistance behaviors of AA5083 aluminum alloy have been studied. The corrosion resistances of the 5083 aluminum alloy in different simulated seawater environments were tested by factorial analysis method. The polarization curves, the corrosion potentials, corrosion current densities and the breakdown potentials were examined in different concentrations of Cl-, HCO3- and SO42-.The corrosion behavior was analyzed by electrochemical impedance spectroscopy (EIS). The results showed that both Cl-, and …
Tetrabutylammonium Hexafluorophosphate As Flame Retardant Additive For Lithium Ion Batteries,
2017
Huai An Institute of Science and Technology Information, Huai'an, 223001;
Tetrabutylammonium Hexafluorophosphate As Flame Retardant Additive For Lithium Ion Batteries, Qing Zhao, Qian Zhang, Jing-Min Fan, Ming-Sen Zheng, Quan-Feng Dong
Journal of Electrochemistry
Safety issues have been attracted more and more attentions due to the wide applications of lithium ion batteries. Introducing flame retardant additives are one of the effective strategies to improve the safety of lithium-ion batteries. In this paper, the tetrabutylammonium hexafluorophosphate (TBAPF6) as a flame retardant additive was added to the electrolyte as a flame retardant additive to enhance the safety of lithium ion batteries. The self-extinguishing time (SET) and ionic conductivities of the electrolytes with different TBAPF6 contents were investigated. It is found that TBAPF6 dramatically reduced the flammability of the electrolyte while slightly decreasing ionic …
Electrochemical Performance Of Sodium Difluoro(Oxalato)Borate As The Additive Of Non-Aqueous Electrolytes For Sodium-Ion Batteries,
2017
College of Chemistry and Chemical Engineering, Taiyuan University of Technology, Taiyuan, Shanxi Province, 030024, P. R. China;
Electrochemical Performance Of Sodium Difluoro(Oxalato)Borate As The Additive Of Non-Aqueous Electrolytes For Sodium-Ion Batteries, Ding Zhang, Qin Zhu, Ying Wang, Cheng-Long Zhao, Shi-Bin Liu, Shou-Dong Xu
Journal of Electrochemistry
Sodium ion battery has attracted worldwide and intensive attention recently, while the adoption of electrolyte additives has been considered as one effective strategy to promote the cell performance. Within this work sodium difluoro(oxalato)borate (NaDFOB) was prepared and adopted as an additive for the general non-aqueous electrolyte formula of 1 mol·L-1 NaClO4/EC/PC (Vol: Vol=1:1), and the effects of the additive concentration on ionic conductivity and oxidization decomposition voltage were investigated in detail. In addition, the cell performance evaluated by NaNi0.5Mn0.5O2 as the cathode was also studied. It reveals that the addition of NaDFOB into the NaClO4/EC/PC electrolyte resulted in the significantly …
An Investigation Of The Synergistic Effect Between (1,3-Dioxolan-2-Ylmethyl)Triphenylphosphonium Bromide And Iodide Ion For The Corrosion Inhibition Of Zinc In Citric Acid,
2017
Chemistry Department, Faculty of Science, Alexandria University, Egypt Ibrahimia, El-Horeya Street P.O. BOX 426 Alexandria 21321;
An Investigation Of The Synergistic Effect Between (1,3-Dioxolan-2-Ylmethyl)Triphenylphosphonium Bromide And Iodide Ion For The Corrosion Inhibition Of Zinc In Citric Acid, Saadawy M.
Journal of Electrochemistry
The effect of (1,3-Dioxolan-2-ylmethyl)-triphenylphosphonium bromide (DTPB) on the zinc corrosion in 0.5 mol·L-1 citric acid solution was investigated at 30 oC using weight loss, potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) techniques. An ecofriendly bath was used for acid cleaning of zinc, which has not been widely used in literatures. The results showed that DTPB could serve as an effective inhibitor for the zinc corrosion in a citric acid solution with the inhibition efficiency of 98.9% at the DTPB concentration of 3×10-3 mol·L-1. A synergistic effect between DTPB and potassium iodide (KI) enhanced the inhibition …
Special Issue: 15th National Symposium On Organic Electrochemistry And Electrochemical Industry,
2017
State Key Laboratory of Chemical Engineering, East China University of Science and Technology;
Special Issue: 15th National Symposium On Organic Electrochemistry And Electrochemical Industry, Xinsheng Zhang, Chengchu Zeng
Journal of Electrochemistry
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Electrostatic Interactions Of Water In External Electric Field: Molecular Dynamics Simulations,
2017
Electrostatic Interactions of Water in External Electric Field: Molecular Dynamics Simulations;
Electrostatic Interactions Of Water In External Electric Field: Molecular Dynamics Simulations, Qiang Zhu, Zigui Kan, Jing Ma
Journal of Electrochemistry
A series of molecular dynamics simulations with or without external electric field have been carried out for a bulk water with periodic boundary condition. The difference in radial distribution function of interatomic O…O distance is subtle, with and without external electric field, except for the orientation of dipole moments of water molecules. Without the applied external electric field, distribution of the orientation angle of dipole moments is rather broad. The induced local electric field is analyzed as a function of altitude in direction of electric field. The variation of the local induced electric field is increased as the increase of …
Preface For Special Issue On Theoretical And Computational Electrochemistry,
2017
State Key Laboratory of Physical Chemistry of Solid Surfaces, Collaborative Innovative Center of Chemistry for Energy Materials, College of Chemsitry and Chemical Engineering, Xiamen University;
Preface For Special Issue On Theoretical And Computational Electrochemistry, Jun Cheng
Journal of Electrochemistry
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Surface Chemical Properties Of Mo2C, W2C, Mo2N And W2N Probed With Co, Co2 And O2 Adsorption: A Dft Analysis,
2017
Department of Chemistry and Biochemistry, Southern Illinois University, Carbondale, IL 62901, USA;
Surface Chemical Properties Of Mo2C, W2C, Mo2N And W2N Probed With Co, Co2 And O2 Adsorption: A Dft Analysis, Jingyun Ye, Tianyu Zhang, Lingyun Xu, Shuxia Yin, Krishanthi Weerasinghe, Pamela Ubaldo, Ping He, Qingfeng Ge
Journal of Electrochemistry
Transition metal carbides and nitrides are attractive materials for electrodes in many electrochemical energy storage and conversion applications. In the present study, we use density functional theory slab calculations to characterize the surface chemical properties of molybdenum (Mo) and tungsten (W) carbides and nitrides, namely, Mo2C, W2C, Mo2N and W2N with the adsorption of CO, CO2 and O2. These probing molecules provide measures of in both acidity/basicity and redox property of for the surfaces of these carbides and nitrides. Our results show that Lewis basic sites were responsible for CO2 …
Density Functional Investigation On Cathode/Electrolyte Interface In Solid-State Lithium Batteries,
2017
Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China;
Density Functional Investigation On Cathode/Electrolyte Interface In Solid-State Lithium Batteries, Xuelong Wang, Ruijuan Xiao, Yong Xiang, Hong Li, Liquan Chen
Journal of Electrochemistry
The rapidly expanding application of lithium ion batteries stimulates research interest on energy storage devices with higher energy density, better safety and faster charge/discharge speed. All-solid-state lithium batteries have been considered as promising candidates because of their fewer side reactions and better safety compared with conventional lithium-ion batteries with organic liquid electrolytes. Looking for well-matched electrode/electrolyte interfaces is one of the keys to ensuring good comprehensive performance of solid-state lithium batteries. In this report, with the aid of first-principles simulations, the local structure and lithium ions transportation properties of electrolyte surfaces and cathode/electrolyte interfaces are investigated. The β-Li3PS …
An Electrochemical Dissolution Study Of Ilmenite Fraction Of Beach Sand In Sulphuric Acid Solution,
2017
Department of Applied Chemistry and Chemical Engineering, Rajshahi University,Rajshahi-6205, Bangladesh;
An Electrochemical Dissolution Study Of Ilmenite Fraction Of Beach Sand In Sulphuric Acid Solution, Rostom Ali M., K. Biswas R., Golam Zakaria Md.
Journal of Electrochemistry
Electrochemical techniques have been used to investigate the dissolution behaviors of ilmenite fraction of beach sand of Bangladesh in sulfuric acid solutions at various temperatures. It is seen from the cyclic voltammetric studies indicated that the dissolution of ilmenite is was very difficult without the addition of carbon powder in ilmenite. The effects of ilmenite-carbon ratio, acid concentration and temperature on cyclic voltammograms have been investigated to understand the dissolution process of ilmenite. The investigated results showed that the dissolution rate of ilmenite (FeTiO3) is was slow at low applied reduction potentials and temperatures. However, the dissolution rate …
A New Type Carbon Composited Molybdenum Doped Vanadium Oxide Nanowires As A Cathode Material For Sodium Ion Batteries,
2017
Henan Xinlianxin Chemical Fertilizer Company, Xinxiang, Henan, 410700;
A New Type Carbon Composited Molybdenum Doped Vanadium Oxide Nanowires As A Cathode Material For Sodium Ion Batteries, Guang-Rui Zhang, Li-Qiang Hu, Bao-Zhu Zhang
Journal of Electrochemistry
In recent years, the development of lithium ion batteries (LIBs) has been limited due to the insufficient lithium resource and increasing cost. As a promising candidate, sodium ion batteries (SIBs) with the similar electrochemical mechanism and lower cost than LIBs are developing rapidly. However, as a result of the larger radius of Na+ compared with Li+, the crystalline structures of the most electrode materials are damaged severely during the intercalation of Na+, which limits the electrochemical properties of SIBs. Thus, developing new types of electrode materials for SIBs is particularly important. Among the cathode materials, …
Effects Of Temperature On The Nucleation And Growth Mechanism Of Pbo2 Electrodeposition,
2017
School of Metallurgical Engineering, Xi'an University of Architecture and Technology, Xi'an 710055, Shanxi, China;
Effects Of Temperature On The Nucleation And Growth Mechanism Of Pbo2 Electrodeposition, Lei Wang, Juan-Qin Xue, Li-Hua Yu, Chang-Bin Tang, Qiang Bi
Journal of Electrochemistry
In order to investigate the effects of temperature on the nucleation and growth of lead dioxide (PbO2), the in situ electrochemical depositions of PbO2 were carried out on the glassy carbon electrode at different temperatures, namely, 25℃,35℃, 45℃, 55℃, and 65℃.The cyclic voltammetric curves, the time-current and the time-potential curves,SEM images and XRD patterns of the PbO2 coatings deposited at different temperatures were obtained. The results showed that the PbO2 underwent nucleation and grew at different temperatures. The 3D continuous nucleation mode of PbO2 electrodeposition remained unchanged with the increase of temperature. However, the …
Effects Of Surface Modification Modes On Proton-Over-Vanadium Ion Selectivity Of Nafion®Membrane For Application In Vanadium Redox Flow Battery,
2017
Beijing Key Laboratory of Bio-inspired Energy Materials and Devices, Sehool of Space andEnvironment, Beihang University, Beijing, 100191, P.R. China
Effects Of Surface Modification Modes On Proton-Over-Vanadium Ion Selectivity Of Nafion®Membrane For Application In Vanadium Redox Flow Battery, Qing-Long Tan, Hai-Ning Wang, Shan-Fu Lu, Da-Wei Liang, Chun-Xiao Wu, Yan Xiang
Journal of Electrochemistry
The effect of surface modification modes on proton-over-vanadium ion selectivity was studied by spin-coating chitosan-Phosphotungstic Acid (PWA) as a single or double layer on Nafion membrane surface. To suppress the vanadium ions permeation through the Nafion? membrane in a vanadium redox flow battery (VRFB), the single surface-modified Nafion membrane (Nafion/chitosan-PWA)S and double surface-modified Nafion membrane (Nafion/chitosan-PWA)D demonstrated a 89.9% and 92.7% reduction of vanadium ion permeability in comparison with pristine Nafion, respectively. The (Nafion/chitosan-PWA)D exhibited betterhigher selectivity between proton and vanadium ions than the (Nafion/chitosan-PWA)S at the same layer thickness. Furthermore, the columbic efficiency for the VRFB single cell based …
Nanoparticle-Based Drug-Delivery Systems Studied By Second Harmonic Generation,
2017
Louisiana State University and Agricultural and Mechanical College
Nanoparticle-Based Drug-Delivery Systems Studied By Second Harmonic Generation, Raju Ram Kumal
LSU Doctoral Dissertations
Second harmonic generation (SHG) is used to study different types of colloidal nanoparticle drug-delivery systems. The surface charge density, electrostatic surface potentials, and ion adsorptions of 50 nm colloidal gold nanoparticle samples coated with mercaptosuccinic acid are determined using SHG measurements under varying NaCl and MgCl2 concentrations in water. Numerical solutions to the spherical Poisson-Boltzmann equation are fit to the SHG results to account for the nanoparticle surface curvature and ion adsorption to the Stern layer interface, showing excellent agreement with electrophoretic mobility measurements. In another study, nanoparticles of gold, silver and polystyrene are functionalized with microRNA using a …
Raman Spectroscopy Of Oxygen Evolution Catalysts And Psii Manganese Model Compounds,
2017
Purdue University
Raman Spectroscopy Of Oxygen Evolution Catalysts And Psii Manganese Model Compounds, Sergei Shmakov, Daniel A. Hartzler, Alireza Karbakhsh Ravari, Yulia Pushkar
The Summer Undergraduate Research Fellowship (SURF) Symposium
Photosynthesis is the basis of life on earth, and oxygen evolution catalysts are key components of this complicated, yet not fully understood process. Photosystem II, a large membrane bound pigment-protein complex, is the key system that facilitates oxygenic photosynthesis via the oxygen evolving complex (a natural oxygen evolving catalyst). It is a key component in oxygen producing catalysts, which can be used in fields such as energy production and biomimetic catalysts. The oxygen evolution cycle, or Kok cycle going within it is still not studied completely. In this project, we were studying the vibrational (and structural) state of a Manganese …
Applying Machine Learning To Computational Chemistry: Can We Predict Molecular Properties Faster Without Compromising Accuracy?,
2017
Purdue University
Applying Machine Learning To Computational Chemistry: Can We Predict Molecular Properties Faster Without Compromising Accuracy?, Hanjing Xu, Pradeep Gurunathan, Lyudmila Slipchenko
The Summer Undergraduate Research Fellowship (SURF) Symposium
Non-covalent interactions are crucial in analyzing protein folding and structure, function of DNA and RNA, structures of molecular crystals and aggregates, and many other processes in the fields of biology and chemistry. However, it is time and resource consuming to calculate such interactions using quantum-mechanical formulations. Our group has proposed previously that the effective fragment potential (EFP) method could serve as an efficient alternative to solve this problem. However, one of the computational bottlenecks of the EFP method is obtaining parameters for each molecule/fragment in the system, before the actual EFP simulations can be carried out. Here we present a …
Temperature-Dependent Exciton Dynamics Of Superacid Treatment In Monolayers Of The Metal Dichalcogenide Mos2,
2017
Purdue University
Temperature-Dependent Exciton Dynamics Of Superacid Treatment In Monolayers Of The Metal Dichalcogenide Mos2, Mingwei Zhou, Long Yuan, Jordan Snaider, Libai Huang
The Summer Undergraduate Research Fellowship (SURF) Symposium
To improve optoelectronic semiconductor materials, one of the most efficient research areas is the two-dimensional (2D) transition-metal dichalocogenides (TMDCs). It has been shown that organic nonoxidizing superacid bis(trifluoromethane)sulfonamide (TFSI) treatment of molybdenum disulfide (MoS2) monolayer could uniformly enhance its photoluminescence by more than two orders of magnitude and also extend the lifetime of excitons. This could greatly improve the efficiency of the solar energy usage, but the mechanism behind it has not been fully understood. Extreme low temperatures (approximately 7K), which slow the surface exciton mobility, were applied to investigate the changes of treated MoS2 monolayer surfaces. …
Electronic Structure Evaluation Of Competing Pathways In The Gold(Iii)-Catalyzed Ohloff-Rautenstrauch Cyclosimerization Converting Propargylic Acetates To Carene-Like Natural Products,
2017
Missouri State University
Electronic Structure Evaluation Of Competing Pathways In The Gold(Iii)-Catalyzed Ohloff-Rautenstrauch Cyclosimerization Converting Propargylic Acetates To Carene-Like Natural Products, Jeremy M. Hines
Graduate Theses/Dissertations
Propargylic acetates can lead to complex transformations upon exposure to a gold catalyst. Gold catalyzed transformations also allow for simple synthesis of a number of natural products. Gold (III)-cycloisomerization of a 5-acetoxy-1,6-enyne is reported to proceed through two pathways that differ in the order of major events: cyclization followed by ester migration (“cyclization first”) or the reverse (“migration first”). Both pathways could theoretically proceed in either order. This rearrangement is called the Ohloff-Rautenstrauch rearrangement and has high regio- and stereocontrol affording a bicylo[4.1.0]heptane carbon substructure. This rearrangement allows for the synthesis of the carene class of natural products. Computational modeling …
Ab Initio Methyl Linoleate Bond Dissociation Energies: First Principles Fishing For Wise Crack Products,
2017
Missouri State University
Ab Initio Methyl Linoleate Bond Dissociation Energies: First Principles Fishing For Wise Crack Products, Zachary Ryan Wilson
Graduate Theses/Dissertations
With the prices of petroleum reflecting demand for this finite resource, attention has been turned to alternative sources of energy. Biodiesel, defined as fatty acid methyl esters (FAMEs), exhibits many of the same properties as conventional diesel but is derived from biological sources. FAMEs are subsequently thermally cracked to form more light-weight petrochemical products. I aim to further understand the thermal cracking procedure, at an atomic-level, in hopes that this may aid in future engineering of viable fuels. I studied the effective computational modeling of bond disassociations in the FAME methyl linoleate. Bond dissociation in a 44-reaction database with known …
