Fabrication And Electrochemical Properties Of Graphene-Zno Nanocomposite,
2014
University of Shanghai for Science and Technology, School of Energy and Power Engineering, Shanghai 200093, China;
Fabrication And Electrochemical Properties Of Graphene-Zno Nanocomposite, Chuan-Ling Men, Wan Wang, Jun Cao
Journal of Electrochemistry
In this work, the graphene-ZnO nanocomposite was successfully synthesized through a one-step solvothermal approach, using ethylene glycol as the solvent and reducing agent. The ZnO particles could be attached to the surfaces and edges of graphene sheet. The electrochemical performance of the nanocomposite was investigated by performing cyclic voltammetry, A.C. impedance and chronopotentiometry tests in 6 mol·L-1 KOH. The results showed that the graphene-ZnO nanocomposite exhibited a nice electrochemical specific capacitance of 115 F·g-1 determined in cyclic voltammetry test, or 71 F·g-1 evaluated in chronopotentiometry test and good reversible charge/discharge behavior.
Electrochemical Deposition Of Gasb Thin Films For Phase Change Memory In Aqueous Solutions,
2014
Depantment of Materials Science and Engineering, College of Materials, Xiamen University, Xiamen 361005. Fujian, China
Electrochemical Deposition Of Gasb Thin Films For Phase Change Memory In Aqueous Solutions, Yu-Lin Xiong, Yuan-Chun Pan, Bai-Sheng Sa, Jian Zhou, Zhi-Mei Sun
Journal of Electrochemistry
The synthesis of GaSb thin films has been successfully performed by a method involving one-step potentiostatic electrodeposition and thermal annealing. The effect of ethylene glycol as a solvent in aqueous electrolyte solution on the crystallinity and morphology of the prepared thin films was discussed. The electrodeposition mechanisms of GaSb were studied by cyclic voltammetry, X-ray diffraction (XRD), scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS) were used to analyze structure, morphology and composition of the thin films. The results show that SbO+ is first reduced to Sb, and Ga3+ is deposited via the induced co-deposition mechanism. The …
An Equivalent Circuit Model For Redox Flow Battery Stack,
2014
The 718th Research Institute of CSIC, 056027, Handan, China;
An Equivalent Circuit Model For Redox Flow Battery Stack, Dong-Jiang You, Hua-Min Zhang
Journal of Electrochemistry
This paper introduces an equivalent circuit model for a redox flow battery stack. The model combines the electrochemical reaction of the battery cell and the shunt current of the battery stack. An all-vanadium redox flow battery stack of 1kW rated output power is tested through transient response and self-discharge experiments. All the parameters used for the modeling are obtained. Calculated shunt current and distribution of calculated battery voltage are shown in the results. It is concluded that the impedance of the battery stack can be obtained by the experimental results of the transient response and self-discharge measurements. The capacity lose …
Implementation And Application Of The Mmff94 Force Field,
2014
University of Nebraska-Lincoln
Implementation And Application Of The Mmff94 Force Field, Hongbo Zhu
Department of Chemistry: Dissertations, Theses, and Student Research
MMFF94 is implemented for molecular mechanics calculation in the quantum chemistry polarizable force field program (QuanPol). As a general force field for organic molecules, the availability of MMFF94 expends the capability of the QuanPol program. The MMFF94 force field atom type determination and parameter matching methods are established and corresponding program routines are written in the FORTRAN language. In this implementation, the MMFF94 atom types can be determined automatically from the connectivity of the input atoms with no or minimum information of formal charges. This implementation of MMFF94 is validated using the 761 standard tests, thus is a complete implementation. …
Combustion Products Of Ethyl Tert-Butyl Ether Using Synchrotron Photoionization,
2014
The University of San Francisco
Combustion Products Of Ethyl Tert-Butyl Ether Using Synchrotron Photoionization, Rong Yao, Martin Ng, David Osborn, Craig Taatjes, Giovanni Meloni
Creative Activity and Research Day - CARD
The photolytically Cl initiated oxidation reaction of ETBE was investigated at the Advanced Light Source located in the Lawrence Berkeley National Laboratory. Using the multiplex photoionization mass spectrometer data were collected at the low pressure (4-8 Torr) and temperature (298 – 700 K) regimes. Data analysis was performed via characterization of the reaction species photoionization spectra and kinetic traces. A reaction schematic including branching fractions determination is presented and discussed.
Investigation Of Oxidation Reaction Products Of 2-Phenylethanol Using Synchrotron Photoionization,
2014
University of San Francisco
Investigation Of Oxidation Reaction Products Of 2-Phenylethanol Using Synchrotron Photoionization, Magaly Wooten, Anthony Medrano, David Osborn, Craig Taatjes, Giovanni J. Meloni
Creative Activity and Research Day - CARD
Photolytically Cl-initiated oxidation reaction of 2-phenylethanol (2-PE) was carried out at the Advanced Light Source (ALS) in the Lawrence Berkeley National Laboratory. Using the multiplex photoionization mass spectrometer, coupled with the tunable vacuum ultraviolet radiation of the ALS, data were collected at low pressure (4 – 6 Torr) and temperature (298 – 550 K) regimes. Data analysis was performed via characterization of the reaction species photoionization spectra and kinetic traces.
A Small Molecule That Binds And Inhibits The Etv1 Transcription Factor Oncoprotein,
2014
Dana Farber Cancer Institute
A Small Molecule That Binds And Inhibits The Etv1 Transcription Factor Oncoprotein, Marius C. Pop, Nicolas Stransky, Colin W. Garvie, Jean-Philippe Theurillat, Emily C. Hartman, Timothy A. Lewis, Cheng Zhong, Elizabeth K. Culyba, Fallon Lin, Douglas S. Daniels, Raymond Pagliarini, Lucienne Ronco, Angela N. Koehler, Levi A. Garraway
Chemistry Faculty Publications
Members of the ETS transcription factor family have been implicated in several cancers, where they are often dysregulated by genomic derangement. ETS variant 1 (ETV1) is an ETS factor gene that undergoes chromosomal translocation in prostate cancers and Ewing's sarcomas, amplification in melanomas, and lineage dysregulation in gastrointestinal stromal tumors. Pharmacologic perturbation of ETV1 would be appealing in these cancers; however, oncogenic transcription factors are often deemed “undruggable” by conventional methods. Here, we used small-molecule microarray (SMM) screens to identify and characterize drug-like compounds that modulate the biological function of ETV1. We identified the 1,3,5-triazine small molecule BRD32048 as a …
Hydration Of The Sulfuric Acid−Methylamine Complex And Implications For Aerosol Formation,
2014
Bucknell University
Hydration Of The Sulfuric Acid−Methylamine Complex And Implications For Aerosol Formation, Danielle J. Bustos, Berhane Temelso, George C. Shields
Faculty Journal Articles
The binary H2SO4−H2O nucleation is one of the most important pathways by which aerosols form in the atmosphere, and the presence of ternary species like amines increases aerosol formation rates. In this study, we focus on the hydration of a ternary system of sulfuric acid (H2SO4), methylamine (NH2CH3), and up to six waters to evaluate its implications for aerosol formation. By combining molecular dynamics (MD) sampling with high-level ab initio calculations, we determine the thermodynamics of forming H2SO4(NH2CH3)(H …
Dipole Bound Excited States Of Polycyclic Aromatic Hydrocarbons Containing Nitrogen And Their Relation To The Interstellar Medium,
2014
Georgia Southern University
Dipole Bound Excited States Of Polycyclic Aromatic Hydrocarbons Containing Nitrogen And Their Relation To The Interstellar Medium, Mallory L. Theis
Honors College Theses
Polycyclic aromatic hydrocarbons (PAHs) are the most abundant type of molecule present in the interstellar medium (ISM). It has been hypothesized that nitrogen replacement within a ring is likely for PAHs present in the ISM. Additionally, electrons, protons, and hydrogen atoms are readily added to or removed from PAHs creating a truly diverse set of chemistries in various interstellar regions. The presence of a nitrogen within a PAH (called a PANH herein) that is additionally dehydrogenated leads to a neutral radical with a large dipole moment. It has recently been shown through the use of high-level quantum chemical computations for …
Photocatalysis And Grazing-Ion Beam Surface Modifications Of Planar Tio2 Model Systems,
2014
University of South Florida
Photocatalysis And Grazing-Ion Beam Surface Modifications Of Planar Tio2 Model Systems, Timothy Luttrell
USF Tampa Graduate Theses and Dissertations
This dissertation is related to the understanding of catalytic reactions of metal oxides. For several decades, the surfaces and bulk of materials have been probed to determine additional properties that relate to photocatalytic applications. This investigation furthers these efforts by the (a) modification of a metal oxide surface to isolate known influences of chemical properties and (b) proposing and utilizing a novel methodology for attribution of photocatalytic activity to a discernable influence. For the first effort, by effectively utilizing a known technique for a new application on a metal oxide, such isolations can be made despite unfavorable states. For the …
Investigation Of Isotope Effects Of Ozone As A Function Of Temperature,
2014
Purdue University
Investigation Of Isotope Effects Of Ozone As A Function Of Temperature, Daniel J. Mcmahon
Open Access Theses
Ozone is an important oxidizer in the atmosphere and plays a crucial role as a cleanser, removing various compounds such NOx and SOx. It also is intriguing to those that study stable isotopes as it has a unique signature found in no other oxygen containing molecule. Ozone is observed to fractionate mass independently, which means it does not follow the typical δ 17 O /δ18 O = 0.52 ratio expected for molecules enriched with 17 O and 18 O. The magnitude of ozone's mass independent enrichment has been studied in laboratory experiments and atmospheric observations but its explanation is still …
Reactivity Studies Of Tridhydropyridine Radical Cautions By Using Fourier-Transform Ion Cyclotron Resonance Mass Spectrometry And Advancement Of Mass Spectrometric Analysis Of Asphaltenes And Degradation Products,
2014
Purdue University
Reactivity Studies Of Tridhydropyridine Radical Cautions By Using Fourier-Transform Ion Cyclotron Resonance Mass Spectrometry And Advancement Of Mass Spectrometric Analysis Of Asphaltenes And Degradation Products, Mohammad Sabir Aqueel
Open Access Dissertations
Aromatic organic molecules which have unpaired electrons play an important role in a variety of applications in the fields of organic synthesis, organic magnets, and biological activity of organic compounds. Several studies have been published on σ- type carbon-centered mono- and biradicals. Reactive intermediates with three formally unpaired electrons are known as triradicals. They can be defined as species with three electrons distributed in three degenerate or nearly degenerate orbitals, based on Salem's definition of biradicals from the electronic structure point of view. Very little is known about the reactivity of carbon-centered σ,σ,σ- triradicals due to the complexity of studying …
Capping Amyloid Β‑Sheets Of The Tau-Amyloid Structure Vqivyk With Hexapeptides Designed To Arrest Growth. An Oniom And Density Functional Theory Study,
2014
QuantumBio
Capping Amyloid Β‑Sheets Of The Tau-Amyloid Structure Vqivyk With Hexapeptides Designed To Arrest Growth. An Oniom And Density Functional Theory Study, Joshua A. Plumley, Jorge Ali-Torres, Gabor Pohl, J. J. Dannenberg
Publications and Research
We present ONIOM calculations using density functional theory (DFT) as the high and AM1 as the medium level that explore the abilities of different hexapeptide sequences to terminate the growth of a model for the tau-amyloid implicated in Alzheimer’s disease. We delineate and explore several design principles (H-bonding in the side chains, using antiparallel interactions on the growing edge of a parallel sheet, using all-D residues to form rippled interactions at the edge of the sheet, and replacing the H-bond donor N−H’s that inhibit further growth) that can be used individually and in combination to design such peptides that will …
Electrochemical Performance Of Si-C Composites Prepared By Discharge-Plasma Assisted Milling,
2014
School of Materials Science and Engineering, South China University of Technology, Guangdong Key Lab of Advanced Materials for Energy Storage, Guangzhou 510640, China;
Electrochemical Performance Of Si-C Composites Prepared By Discharge-Plasma Assisted Milling, Yu-Long Chen, Ren-Zong Hu, Hui Liu, Wei Sun, Min Zhu
Journal of Electrochemistry
Silicon-carbon (Si-C) composites, with microstructure of multi-scaled Si particles being homogenously dispersed in micro-sized carbon matrix, had been prepared by dielectric barrier discharge plasma assisted two-step milling for the first time. The Si-C composite anode had a discharge capacity of 1259 mAh·g-1 at the first cycle, while the capacity retained 474 and 396 mAh·g-1 after 20 and 100 cycles, respectively. Charge-discharge curves and AC impedance response indicated that both silicon and carbon phases in the composite anode were involved during the lithiation/delithiation reactions and the electron transport resistance in the Si-C composite anode was much lower than that …
Preparation Of High Performance Porous Silicon Powders By Etching Al-Si Alloy In Acid Solution For Lithium Ion Battery,
2014
Shanghai institute of space power-sources, Shanghai 200245, China;
Preparation Of High Performance Porous Silicon Powders By Etching Al-Si Alloy In Acid Solution For Lithium Ion Battery, Shi-Ji Hao, Chun-Li Li, Kai Zhu, Ping Zhang, Zhi-Yu Jiang
Journal of Electrochemistry
Porous silicon powders prepared by etching Al-Si alloy using an acid solution was reported in the first time. The morphology and structure of as-obtained material were investigated using scanning electron microscopy (SEM) and X-ray diffraction (XRD) method. It was found that the spongy porous silicon powders presented well crystalline structure and consisted of nano-Si particles. The particle size of porous Si powders was about 20 μm, and the specific surface area was 102.7 m2·g-1. The electrochemical properties of porous silicon powders were evaluated as an anode material for lithium ion batteries. The material proportion in the …
Pulse Electrodeposition Of Pd-Ni Alloy Nanoparticles For Electrocatalytic Oxidation Of Formic Acid,
2014
State Key Laboratory of Physical Chemistry of Solid Surfaces, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, Fujian, China;
Pulse Electrodeposition Of Pd-Ni Alloy Nanoparticles For Electrocatalytic Oxidation Of Formic Acid, Fang-Zu Yang, Jun-Pei Yue, Zhong-Qun Tian, Shao-Min Zhou
Journal of Electrochemistry
The Pd-Ni alloy nanoparticles with nickel atomic contents of 12.0%, 16.4% and 22.6% were successfully electrodeposited from a Pd-Ni alloy electrolyte by square wave pulse plating. The alloy nanoparticles were in the spherical shape with a diameter of 50 ~ 80 nm. As the growth potential of the alloy was negatively shifted, the nickel content of the alloy was increased, and the size of the nanoparticles was almost the same, whereas the number, the degree of crosslinking and the real active area of the nanoparticles were increased. As the nickel content of the alloy nanoparticles increased, the peak current for …
Underpotential Deposition Of Germanium On Au(111) And Pt(111) Surfaces In Ionic Liquids,
2014
State Key Laboratory of Physical Chemistry of Solid Surfaces, Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, Fujian, China;
Underpotential Deposition Of Germanium On Au(111) And Pt(111) Surfaces In Ionic Liquids, Xu-Fen Xie, Jia-Wei Yan, Jing-Hong Liang, Ji-Jun Li, Meng Zhang, Bing-Wei Mao
Journal of Electrochemistry
The underpotential deposition (UPD) of germanium (Ge) in BMIPF6 ionic liquids on Au(111) and Pt(111) surfaces have been investigated by cyclic voltammetry (CV) and in-situ scannin tunneling microscopy (STM). The CV results show that there are two reduction peaks related to the electrodeposition of Ge. The first reduction peak appeared in the CV curve may cover the transformation of Ge4+ to Ge2+ and the UPD of Ge. The second reduction peak corresponds to the bulk deposition of Ge. In-situ STM study suggests that the two UPD layers of Ge are formed on Au(111) and Pt(111) surfaces. The …
Synthesis And Electrochemical Properties Of Lico1-XMgXMno4 And Lico1-XAlXMno4 (X= 0, 0.02, 0.05, 0.1) As Positive Materials For Lithium-Ion Batteries,
2014
Department of Chemistry, Fujian Normal University, Fuzhou 35007, China;
Synthesis And Electrochemical Properties Of Lico1-XMgXMno4 And Lico1-XAlXMno4 (X= 0, 0.02, 0.05, 0.1) As Positive Materials For Lithium-Ion Batteries, Mei-Ling You, Qing-Song Tong, Xiu-Hua Li, Min Lin, Xing-Kang Huang, Yong Yang
Journal of Electrochemistry
The Al-doped and Mg-doped LiCoMnO4 materials were synthesized through solid-state reaction. The effects of doping amounts of Mg and Al on the initial capacities, discharge plateaus, and cycle performances were investigated. The morphologies and structures of the as-prepared materials were studied by scanning electron microscopy and powder X-ray diffraction. The results indicate that the as-prepared samples were composed of uniform, well-crystallized particles. The pristine LiCoMnO4 possessed an initial capacity of 87.0 mAh·g-1, while LiCo0.98Mg0.02MnO4 and LiCo0.98Al0.02MnO4 delivered 91.3 and 93.6 mAh·g-1, respectively. The proper …
Passivation Behavior Of Aluminum Alloy During Electrochemical Machining And Its Effects On The Machining Performance,
2014
School of Material Science & Engineering, Nanchang Hangkong University, National Defense Key Laboratory of Light Alloys Processing Science and Technology, Nanchang 330063, China;
Passivation Behavior Of Aluminum Alloy During Electrochemical Machining And Its Effects On The Machining Performance, Li-Min Jiang, Wen-Bo Deng, Jun-Long Ying
Journal of Electrochemistry
The passivation behavior of aluminum alloy during electrochemical machining was investigated and discussed. The effects of processing voltage, current density, space of electrodes and electrolyte composition on electrochemical machining performance were explored. The results indicate that the electrochemical machining aluminum alloy in the composite electrolyte system containing NaNO3 and NaF existed passivation phenomenon. Passivation action decreaseed the current efficiency and made it varied greatly with the current density. Also the passivation shifted the interspace characteristic curve of electrode notably to a negative direction. There was not passivation phenomenon in the composite electrolyte system containing the same concentrations of NaCl …
Fabrication And Impedance Performance Of Gradient Lani0.6Fe0.4O3-δ-Gd0.2Ce0.8O2 Composite Cathodes For Intermediate Temperature Solid Oxide Fuel Cell,
2014
Institute of Fuel Cell, School of Mechanical Engineering, Shanghai Jiaotong University, Shanghai 200240, China;
Fabrication And Impedance Performance Of Gradient Lani0.6Fe0.4O3-δ-Gd0.2Ce0.8O2 Composite Cathodes For Intermediate Temperature Solid Oxide Fuel Cell, Yang Li, Bo Huang, Meng Yuan, Zhi-Qiu Zhang, Zong-Yao Liu, Xu-Chen Tang, Xin-Jian Zhu
Journal of Electrochemistry
A LNF-GDC composite cathode with a gradual change in the composition between ScSZ electrolyte and LNF cathode was fabricated to reduce the cathode polarization resistance (Rp). The gradual change in composition between ScSZ electrolyte and LNF cathode shows the decreases in the charge transfer resistance (Rct) and gas phase diffusion resistance (Rd). The results revealed that the Rp value, measuring 0.452 Ω·cm2 at 750 °C, was the lowest for LNF-GDC composite cathodes with three layers and gradient changes in composition between ScSZ and LNF (Cathode C),, whereas the Rp value of 70%LNF-30%GDC composite …
