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Articles 1051 - 1080 of 2388
Full-Text Articles in Physical Chemistry
Application Of Ionic Liquid Pp14Tfsi In Electrolyte Systems For Rechargeable Mg Batteries, Jin-Jie Zhu, Fei-Fei Wang, Yong-Sheng Guo, Jun Yang, Yan-Na Nuli, Jiu-Lin Wang
Application Of Ionic Liquid Pp14Tfsi In Electrolyte Systems For Rechargeable Mg Batteries, Jin-Jie Zhu, Fei-Fei Wang, Yong-Sheng Guo, Jun Yang, Yan-Na Nuli, Jiu-Lin Wang
Journal of Electrochemistry
A phenolated-based Mg salt was prepared. The mixture of THF and N-methyl-N-butyl-piperidinium bis(trifluoromethanesulfonyl)imide (PP14TFSI) serves as the mixed solvent instead of pure THF for rechargeable Mg batteries systems. This new type of electrolyte system not only has optimal reversibility of Mg, but also owns a wide electrochemical window (2.7 V vs. Mg) and high ionic conductivity (7.77 mS·cm-1). More importantly, the addition of Ionic Liquid suppresses the volatility of THF and improves the safety of rechargeable Mg batteries. The result shows that the mixture of THF and piperidyl-based Ionic Liquid could be regarded as a good solvent candidate …
Detection Of Glucosamine Hydrochloride By Ion Chromatography With Integrated Pulsed Amperometric Detector, Yan-Qun Fan, Qing-Yang Chen, Jin-Mei Xia, Jian-Zhong Xu, Xun Xu, Chen Xu
Detection Of Glucosamine Hydrochloride By Ion Chromatography With Integrated Pulsed Amperometric Detector, Yan-Qun Fan, Qing-Yang Chen, Jin-Mei Xia, Jian-Zhong Xu, Xun Xu, Chen Xu
Journal of Electrochemistry
Factors (integral potential, concentration of NaOH and flow rate) affecting detection of Glucosamine hydrochloride by ion chromatography with integrated pulsed amperometric detector were studied. As the integral potential increased, the detection signal first increased and then decreased, while the detection background and noise increased directly. The suitable integral potential should be 0.1 V. With the concentration of NaOH increased, the retention time descended sharply, while the integral area increased quickly before they are coming back into balance. The number of theoretical plates increased firstly and then decreased. The optimum concentration of NaOH was 50 mmol·L-1. As the flow …
Electro-Catalytic Oxidation Of Hydrogen Peroxide On Au/ L-Methionine /Gc Electrode, Jian-Feng Fan, Xue-Mei Luo, Jing Li, Lou-Zhen Fan
Electro-Catalytic Oxidation Of Hydrogen Peroxide On Au/ L-Methionine /Gc Electrode, Jian-Feng Fan, Xue-Mei Luo, Jing Li, Lou-Zhen Fan
Journal of Electrochemistry
The modified electrodes have been fabricated by generation of Au nanoparticle chains, which was produced by reaction between HAuCl4 and sodium citrate without any additional capping agents or surfactants. The self-assembled Au nanoparticles were attached to the surface of glassy carbon electrode (GCE) layer by layer, using L-methionine (L-Met), thiourea (TU), allyl thiourea (ATU) and polyvinylpyrrolidone (PVP) as a crosslinking agent, respectively. The experimental results showed that the electrochemical performance of the different modified electrodes varied in [Fe(CN)6]3-/4- solution. The Au/L-Met/GCE exhibited an excellent electrochemical property, which is superior to other modified electrodes. In addition, the catalysis …
Preparation Of A New Laccase Biosensor Based On Bimetallic Pt/Au Particles And Chitosan/Silica Sol-Gel Hybrid Films For Determination Of Catechol, Tong-Fang Lou, Jian-Ying Qu, Huan-Huan Xing, Xue-Ping Du, Ying Dong
Preparation Of A New Laccase Biosensor Based On Bimetallic Pt/Au Particles And Chitosan/Silica Sol-Gel Hybrid Films For Determination Of Catechol, Tong-Fang Lou, Jian-Ying Qu, Huan-Huan Xing, Xue-Ping Du, Ying Dong
Journal of Electrochemistry
A novel laccase (Lac) biosensor was fabricated successfully by means of entrapping Lac into bimetallic Pt/Au particles and chitosan/silica (CS-SiO2) sol-gel hybrid films, and then applied to determine catechol (CC) concentration. The experiment results showed that the biosensor can electrocatalyze the reduction of CC, and the peak current increased linearly with the concentration of CC in the range of 8×10-7 ~ 1×10-4 mol·L-1 (r = 0.9993) with a detection limit of 7.9×10-8 mol·L-1 by cyclic voltammetric response. The biosensor exhibited good sensitivity, stability and reproducibility, with a broad linear range for potential applications.
Synthesis Of Platinum Nanocrystallites And Possible Electrocatalytic Properties For Methanol, Lei-Lei Lu, Bao-Zhong Du, Sha Sun, Jin-Fen Niu, Jie Zhao
Synthesis Of Platinum Nanocrystallites And Possible Electrocatalytic Properties For Methanol, Lei-Lei Lu, Bao-Zhong Du, Sha Sun, Jin-Fen Niu, Jie Zhao
Journal of Electrochemistry
Platinum nanocrystallites were synthesized by the colloidal method using oxamide as the stabilizer. The morphologies and electrocatalytic performances for methanol of platinum nanocrystallites prepared at different pH values and with different reactant ratios of precursor and stabilizer were investigated. It was found that the platinum nanocrystallites synthesized at pH=5 and with the reactant ratio of 1:20 showed the best electrocatalytic activity for methanol. The peak current density reached up to 1709 μA·cm-2. Furthermore, the electrocatalytic activity of platinum nanocrystallites for methanol reduced significantly although the cyclic voltammograms in the blank solution were not obviously changed after exposing in …
Electrochemical Performance Of Si-C Composites Prepared By Discharge-Plasma Assisted Milling, Yu-Long Chen, Ren-Zong Hu, Hui Liu, Wei Sun, Min Zhu
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 …
Study On Carbon Supported Pd Catalysts Modified By Phosphomolybdic Acid For H2O2 Electrocatalytic Reduction, Li-Mei Sun, Cheng Zhang, Ying-Rong Bao, Hong-Xia Li
Study On Carbon Supported Pd Catalysts Modified By Phosphomolybdic Acid For H2O2 Electrocatalytic Reduction, Li-Mei Sun, Cheng Zhang, Ying-Rong Bao, Hong-Xia Li
Journal of Electrochemistry
The Pd/C catalyst was prepared with the chemical reduction method, and phosphomolybdic acid (PMA) was modified on the Pd/C catalyst using the dipping method. The compositions and structures of the Pd/C and Pd/C modified by phosphomolybdic acid (PMA-Pd/C) catalysts were characterized with X-ray diffraction and Fourier Transform infrared spectroscopy analyses. The electrocatalytic activity and stability of the catalysts for the reduction of hydrogen peroxide (H2O2) were studied using cyclic voltammetry and chronoamperometry. The results showed that the phosphomolybdic acid was tightly fixed on the surface of Pd/C catalyst through the chemical interaction. The eletrocatalytic activity of …
Magnesium Deposition-Dissolution Performance Of Ethylenethiourea-Grignard Reagent/Thf Electrolytes, Pei-Wen Bian, Yan-Na Nuli, Qiang Chen, Jun Yang, Jiu-Lin Wang
Magnesium Deposition-Dissolution Performance Of Ethylenethiourea-Grignard Reagent/Thf Electrolytes, Pei-Wen Bian, Yan-Na Nuli, Qiang Chen, Jun Yang, Jiu-Lin Wang
Journal of Electrochemistry
Three kinds of ethylenethiourea-Grignard reagent/THF electrolytes were prepared by reacting ethylenethiourea with different Grignard reagents such as EtMgBr/THF, PhMgBr/THF and PhMgCl/THF. Cyclic voltammetry tests on Pt disk electrode show that the electrolytes have good performance of magnesium deposition-dissolution as Grignard reagents and higher anodic stabilities than Grignard reagents. The oxidative decomposition potential of ethylenethiourea-PhMgBr/THF on Pt electrode can reach 2.3 V (vs. Mg/Mg2+). The conductivity of ethylenethiourea-PhMgBr/THF electrolyte initially increases and then decreases with the increase of the concentration and reaches to the highest value of 615 μS·cm-1 at 0.9 mol·L-1. The comparison in cyclic …
Preliminary Study On Morphology Controllability Of Electrochemically Prepared Polyaniline By Using Aniline Aimer, Yang Zuo, Kang Shi
Preliminary Study On Morphology Controllability Of Electrochemically Prepared Polyaniline By Using Aniline Aimer, Yang Zuo, Kang Shi
Journal of Electrochemistry
Employing of aniline dimer (N-phenyl-p-phenylenediamine, NPD) as the starting monomer, polyaniline was electrochemically synthesized on the surface of glassy carbon electrode in acetonitrile-aqueous mixing solutions（20% by volume）containing 1 mol·L-1 HClO4. Experimental results demonstrated that the polymerization of NPD occurs at the potentials about 0.2 V lower than those of aniline monomer. Furthermore, the resulting polyaniline has higher morphology controllability than those synthesized by using aniline as the stating monomer. The uniform polyaniline nanoparticles (30 nm in diameter), ultralong nanowires (length > 5 μm, 50 nm in diameter) or large area nanosheets (4 μm in length, 2 μm in …
Electrochemical Oxidation Of Ammonium Nitrite In Absorption Solution Of Flue Gas, Yong-Hong Lu, Xiao-Bo Dong, Li-Sha Wang, Yan Liu, Chen-Jian Zhu, Hai-Bo Xu
Electrochemical Oxidation Of Ammonium Nitrite In Absorption Solution Of Flue Gas, Yong-Hong Lu, Xiao-Bo Dong, Li-Sha Wang, Yan Liu, Chen-Jian Zhu, Hai-Bo Xu
Journal of Electrochemistry
In order to make full uses of ammonium nitrite in absorption solution from flue gas simultaneous desulfurization, denitrification and demercurization processes, here the electrochemical oxidation method was used to transform ammonium nitrite into ammonium nitrate. By using polarization curve, cyclic voltammogram and galvanostatic methods, suitable electrode materials were evaluated and chosen. The influence of electrolyte composition was discussed and the appropriate process parameters were obtained. Finally, the effect of electrochemical oxidation was confirmed by chemical analysis method. In 0.05 mol·L-1 NaNO2 + 0.05 mol·L-1 (NH4)2SO4 simulated absorption solution (5 L, pH = …
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
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, Fang-Zu Yang, Jun-Pei Yue, Zhong-Qun Tian, Shao-Min Zhou
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, Xu-Fen Xie, Jia-Wei Yan, Jing-Hong Liang, Ji-Jun Li, Meng Zhang, Bing-Wei Mao
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, Mei-Ling You, Qing-Song Tong, Xiu-Hua Li, Min Lin, Xing-Kang Huang, Yong Yang
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, Li-Min Jiang, Wen-Bo Deng, Jun-Long Ying
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, Yang Li, Bo Huang, Meng Yuan, Zhi-Qiu Zhang, Zong-Yao Liu, Xu-Chen Tang, Xin-Jian Zhu
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 …
Surface Structure And Electrochemical Performance Of Zno Coated Lini1/3Co1/3Mn1/3O2, Chang-Wei Liu, Yu Wang, Yu-Zhong Guo, Lu-Lu Dan, Jian-Hua Wang
Surface Structure And Electrochemical Performance Of Zno Coated Lini1/3Co1/3Mn1/3O2, Chang-Wei Liu, Yu Wang, Yu-Zhong Guo, Lu-Lu Dan, Jian-Hua Wang
Journal of Electrochemistry
The surface of LiNi1/3Co1/3Mn1/3O2 particles were modified by ZnO. Surface structure and electrochemical properties of the coated materials were investigated by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and electrochemical tests. The results show that a ZnO coating affects the surface composition of LiNi1/3Co1/3Mn1/3O2 particles. The surface contents of nickel and manganese increase with the amount of ZnO coating. ZnO can react with LiNi1/3Co1/3Mn1/3O2 and a complex oxide is formed during the heat-treatment at above 400 oC. The …
Preparation Of Pd/Tio2/C Catalyst And Its Electrocatalytic Performance In Basic Solution For Ethanol Oxidation, Qiao-Xia Li, Yi-Chao Yang, Ming-Shuang Liu, Hong-Min Mao, Qun-Jie Xu
Preparation Of Pd/Tio2/C Catalyst And Its Electrocatalytic Performance In Basic Solution For Ethanol Oxidation, Qiao-Xia Li, Yi-Chao Yang, Ming-Shuang Liu, Hong-Min Mao, Qun-Jie Xu
Journal of Electrochemistry
Nanoparticles TiO2 were prepared by hydrothermal method using precursor tetrabutyl titanate. The Pd/TiO2/C catalyst was synthesized by liquid phase reducing method supported on nano TiO2 and Vulcan carbon XC-72. The Pd/TiO2/C catalyst was characterized by XRD, TEM, cyclic voltammetry, and chronopotentiometry. XRD confirmed the face-centered cubic structure of Pd particles, and TEM indicated that Pd particles (size 3 ~ 4 nm) dispersed uniformly on TiO2 and carbon XC-72. The results from cyclic voltammogram and chronopotentiogram showed the higher ethanol oxidation activity and stability of Pd/TiO2/C catalyst (20% Pd) as compared with …
Design And Development Of A Novel Glucose Biosensor Based On The Ferrocene-Functionalized Fe3O4 Nanoparticles/Carbon Nanotubes/Chitosan Nanocomposite Film Modified Electrode, Hua-Ping Peng, Dai-Jun Zha, Wei Chen, Ai-Lin Liu, Xin-Hua Lin
Design And Development Of A Novel Glucose Biosensor Based On The Ferrocene-Functionalized Fe3O4 Nanoparticles/Carbon Nanotubes/Chitosan Nanocomposite Film Modified Electrode, Hua-Ping Peng, Dai-Jun Zha, Wei Chen, Ai-Lin Liu, Xin-Hua Lin
Journal of Electrochemistry
A novel platform for the fabrication of glucose biosensor was successfully constructed by entrapping glucose oxidase (GOD) in a ferrocene monocarboxylic acid-aminated Fe3O4 magnetic nanoparticles conjugate (FMC-AFNPs)/chitosan (CS)/multiwall carbon nanotubes (MWNTs) nanocomposite. The formation of FMC-AFNPs could effectively prevent the leakage of ferrocene and retain its electrochemical activity. This GOD/FMC-AFNPs/CS/MWNTs matrix provided a biocompatible microenvironment for retaining the native activity of the immobilized GOD. Moreover, the presence of MWNTs enhanced the charge-transport properties of the composite and facilitated electron transfer between the GOD and the electrode for the electrocatalysis of glucose. Under the optimal conditions the designed …
A New Nonenzymatic Glucose Sensor Based On The Cuo Nanoplatelets, Yan-Cai Li, Fu-Ying Huang, Shun-Xing Li, Jie Chen, Shu-Qing Feng, Fei Wang
A New Nonenzymatic Glucose Sensor Based On The Cuo Nanoplatelets, Yan-Cai Li, Fu-Ying Huang, Shun-Xing Li, Jie Chen, Shu-Qing Feng, Fei Wang
Journal of Electrochemistry
The CuO nanoplatelets were synthesized by hydrothermal method. The structure and morphology of the CuO nanoplatelets were characterized by TEM and XRD. A new nonenzymatic glucose sensor was constructed by immobilizing the CuO nanoplatelets on glassy carbon electrode with Nafion. The electrochemical performance of the CuO/Nafion/GCE for the detection of glucose was investigated by cyclic voltammetry and current-time curve. The experiment results showed that the linear dependence of the sensor was 0.01 to 0.3 mmol·L-1 for glucose with a sensitivity of 1783.58 μA·mmol-1·L·cm-2, and the detection limit of the sensor was 0.80 μmol·L-1 (S/N …
Spontaneous Formation Of One-Dimensional Hydrogen Gas Hydrate In Carbon Nanotubes, Wenhui Zhao, Lu Wang, Jaeil Bai, Joseph S. Francisco, Xiao Cheng Zeng
Spontaneous Formation Of One-Dimensional Hydrogen Gas Hydrate In Carbon Nanotubes, Wenhui Zhao, Lu Wang, Jaeil Bai, Joseph S. Francisco, Xiao Cheng Zeng
Xiao Cheng Zeng Publications
We present molecular dynamics simulation evidence of spontaneous formation of quasi-one-dimensional (Q1D) hydrogen gas hydrates within single-walled carbon nanotubes (SW-CNTs) of nanometer-sized diameter (1−1.3 nm) near ambient temperature. Contrary to conventional 3D gas hydrates in which the guest molecules are typically contained in individual and isolated cages in the host lattice, the guest H2 molecules in the Q1D gas hydrates are contained within a 1D nanochannel in which the H2 molecules form a molecule wire. In particular, we show that in the (15,0) zigzag SW-CNT, the hexagonal H2 hydrate tends to form, with one H2 molecule …
A Photoelectron Spectroscopy And Ab Initio Study Of The Structures And Chemical Bonding Of The B25 − Cluster, Zachary A Piazza, Ivan H. Popov, Wei-Li Li, Rhitankar Pal, Xiao Cheng Zeng, Alexander I. Boldyrev, Lai-Sheng Wang
A Photoelectron Spectroscopy And Ab Initio Study Of The Structures And Chemical Bonding Of The B25 − Cluster, Zachary A Piazza, Ivan H. Popov, Wei-Li Li, Rhitankar Pal, Xiao Cheng Zeng, Alexander I. Boldyrev, Lai-Sheng Wang
Xiao Cheng Zeng Publications
Photoelectron spectroscopy and ab initio calculations are used to investigate the structures and chemical bonding of the B25 − cluster. Global minimum searches reveal a dense potential energy landscape with 13 quasi-planar structures within 10 kcal/mol at the CCSD(T)/6-311+G(d) level of theory. Three quasi-planar isomers (I, II, and III) are lowest in energy and nearly degenerate at the CCSD(T) level of theory, with II and III being 0.8 and 0.9 kcal/mol higher, respectively, whereas at two density functional levels of theory isomer III is the lowest in energy (8.4 kcal/mol more stable than I at PBE0/6-311+G(2df) level). Comparison with …
Science Classics, Mark Masthay
Science Classics, Mark Masthay
Chemistry Faculty Publications
An essay on the impact of the works in the Imprints and Impressions: Milestones in Human Progress, an exhibition of rare books from the collection of Stuart Rose. Exhibition was held Sept. 29-Nov. 9, 2014, at the University of Dayton.
Ferroelectric Hexagonal And Rhombic Monolayer Ice Phases, Wen-Hui Zhao, Jaeil Bai, Lan-Feng Yuan, Jinlong Yang, Xiao Cheng Zeng
Ferroelectric Hexagonal And Rhombic Monolayer Ice Phases, Wen-Hui Zhao, Jaeil Bai, Lan-Feng Yuan, Jinlong Yang, Xiao Cheng Zeng
Xiao Cheng Zeng Publications
Two new phases of water, the mid-density hexagonal monolayer ice and the high-density flat rhombic monolayer ice, are observed in our molecular dynamics simulations of monolayer water confined between two smooth hydrophobic walls. These are in addition to the two monolayer ices reported previously, namely, the low-density 4∙82 monolayer ice and the high-density puckered rhombic monolayer ice (HD-pRMI). Stabilities of the structures are confirmed by ab initio computation. Importantly, both new phases and the HD-pRMI are predicted to be ferroelectric. An in-plane external electric field can further stabilize these ferroelectric monolayer ices.
Mos2/Mx2 Heterobilayers: Bandgap Engineering Via Tensile Strain Or External Electrical Field, Ning Lu, Hongyan Guo, Lei Li, Jun Dai, Lu Wang, Wai-Ning Mei, Xiaojun Wu, Xiao Cheng Zeng
Mos2/Mx2 Heterobilayers: Bandgap Engineering Via Tensile Strain Or External Electrical Field, Ning Lu, Hongyan Guo, Lei Li, Jun Dai, Lu Wang, Wai-Ning Mei, Xiaojun Wu, Xiao Cheng Zeng
Xiao Cheng Zeng Publications
We have performed a comprehensive first-principles study of the electronic and magnetic properties of two-dimensional (2D) transition-metal dichalcogenide (TMD) heterobilayers MX2/MoS2 (M = Mo, Cr, W, Fe, V; X = S, Se). For M = Mo, Cr, W; X = S, Se, all heterobilayers show semiconducting characteristics with an indirect bandgap with the exception of the WSe2/MoS2 heterobilayer which retains the directbandgap character of the constituent monolayer. For M = Fe, V; X = S, Se, the MX2/MoS2 heterobilayers exhibit metallic characters. Particular attention of this study has been focused on engineering the bandgap …
Van Der Waals Trilayers And Superlattices: Modification Of Electronic Structures Of Mos2 By Intercalation, Ning Lu, Hongyan Guo, Lu Wang, Xiaojun Wu, Xiao Cheng Zeng
Van Der Waals Trilayers And Superlattices: Modification Of Electronic Structures Of Mos2 By Intercalation, Ning Lu, Hongyan Guo, Lu Wang, Xiaojun Wu, Xiao Cheng Zeng
Xiao Cheng Zeng Publications
We perform a comprehensive first-principles study of the electronic properties of van der Waals (vdW) trilayers via intercalating a twodimensional (2D) monolayer (ML = BN, MoSe2, WS2, orWSe2) between a MoS2 bilayer to form various MoS2/ML/MoS2 sandwich trilayers. We find that the BN monolayer is themost effective sheet to decouple the interlayer vdW coupling of the MoS2 bilayer, and the resulting sandwich trilayer can recover the electronic structures of the MoS2 monolayer, particularly the direct-gap character. Further study of the MoS2/BN superlattices confirms the effectiveness of …
Unraveling Crystalline Structure Of High-Pressure Phase Of Silicon Carbonate, Rulong Zhou, Bingyan Qu, Jun Dai, Xiao Cheng Zeng
Unraveling Crystalline Structure Of High-Pressure Phase Of Silicon Carbonate, Rulong Zhou, Bingyan Qu, Jun Dai, Xiao Cheng Zeng
Xiao Cheng Zeng Publications
Although CO2 and SiO2 both belong to group-IV oxides, they exhibit remarkably different bonding characteristics and phase behavior at ambient conditions. At room temperature, CO2 is a gas, whereas SiO2 is a covalent solid with rich polymorphs. A recent successful synthesis of the silicon-carbonate solid from the reaction between CO2 and SiO2 under high pressure [M. Santoro et al., Proc. Natl. Acad. Sci. U.S.A. 108, 7689 (2011)] has resolved a long-standing puzzle regarding whether a SixC1−xO2 compound between CO2 and SiO2 exists in nature. Nevertheless, the detailed …
Electrode And Electrolyte Additives For Lifetime Extension In Lithium-Ion Batteries, Kishore Anand Narayana
Electrode And Electrolyte Additives For Lifetime Extension In Lithium-Ion Batteries, Kishore Anand Narayana
Theses and Dissertations--Chemistry
Lithium-ion batteries (LIBs) are the most commonly used type of rechargeable batteries with a global market estimated at $11 billion, which is predicted to grow to $60 billion by 2020. The global commercialization of Li-ion batteries is impeded by issues such as poor cycle life (5000 cycles achieved in some LIBs) in high energy and power density applications because of the rising internal resistance due to aging and safety concerns such as overcharge which ultimately leads to thermal runaway and explosions. A battery’s performance mainly depends on external factors such as electrode thickness and degree of compacting, and the type …
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
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.
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
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 …