检索结果-南通市图书馆

Chinese Journal of Structural chemistry 2019年第3期38卷 439-447页

作者： LUO Hui CHEN Xiao LIU Liu-Xie ZHANG Ming LI Lai-Cai TIAN An-Ming College of chemistry and material science Sichuan Normal University Department of chemistry Sichuan University

Humic acid is a key component of extracellular electron acceptor. Experimental study elucidates that humic acid molecular ligand with different metal elements has different abilities to accept electrons. By using density functional theory, this article selected the leonardite humic acid(LHA) organic macromolecule as ligand to study interactions between the ligand and different metals. At the same time, the calculation of binding energy, the analysis of characteristics for the complex structure and the distribution of frontier molecular orbital were also completed. On the basis of Marcus theory, the reorganization energy, matrix element and charge transport rate constant were calculated. The results show that the order of the charge transfer rates is Fe^(3+)>Cu^(2+)>Al^(3+) for different metal complexes, and are in good agreement with the experimental ones.

关键词： charge transport density functional theory humic acid Marcus theory

Defect Engineering:Can it Mitigate Strong Coulomb Effect of Mg^(2+)in Cathode materials for Rechargeable Magnesium Batteries?

在线全文

学校读者我要写书评

暂无评论

Nano-Micro Letters 2025年第1期17卷 135-159页

作者： Zhengqing Fan Ruimin Li Xin Zhang Wanyu Zhao Zhenghui Pan Xiaowei Yang School of chemistry and Chemical Engineering Shanghai Jiao Tong UniversityShanghai 200240People’s Republic of China School of chemistry and Chemical Engineering Taiyuan University of TechnologyTaiyuan 030024People’s Republic of China School of materials science and Engineering Tongji UniversityShanghai 201804People’s Republic of China

Rechargeable magnesium batteries(RMBs)have been considered a promising“post lithium-ion battery”system to meet the rapidly increasing demand of the emerging electric vehicle and grid energy storage ***,the sluggish diffusion kinetics of bivalent Mg^(2+)in the host material,related to the strong Coulomb effect between Mg^(2+)and host anion lattices,hinders their further development toward practical *** engineering,regarded as an effective strategy to break through the slow migration puzzle,has been validated in various cathode materials for *** this review,we first thoroughly understand the intrinsic mechanism of Mg^(2+)diffusion in cathode materials,from which the key factors affecting ion diffusion are further ***,the positive effects of purposely introduced defects,including vacancy and doping,and the corresponding strategies for introducing various defects are *** applications of defect engineering in cathode materials for RMBs with advanced electrochemical properties are also ***,the existing challenges and future perspectives of defect engineering in cathode materials for the overall high-performance RMBs are described.

关键词： Rechargeable magnesium battery Sluggish diffusion kinetic Defect engineering Cathode materials Ion migration

SYNTHESIS, CHARACTERIZATION AND SPECTROSCOPIC INVESTIGATION OF PYRAZINOPORPHYRAZINE NETWORK POLYMER-SUPPORTED METAL (Ⅱ)-BASED CATALYSTS

在线全文

学校读者我要写书评

暂无评论

Chinese Journal of Polymer science 2013年第2期31卷 242-250页

作者： H.H. Abdel-Razik B.H. Asghar E. Kenawy chemistry Department Faculty of Science Mansoura University chemistry Department Faculty of Science Taif University chemistry Department Faculty of Applied Sciences Umm Al-Qura University chemistry Department Polymer Research Group Faculty of Science Tanta University

Chloranil through condensation reaction with vicinal diamine such as diaminomaleonitrile produced heterocyclic monomer, p-benzoquinonebis[2,3-b; 2＇,3＇-b＇]pyrazine-5,6-dinitrile. The tetranitrile monomer was cyclo-tetramerised using lithium/pentanol and acetic acid affording the corresponding tetrap-benzoquinone bis[2,3-b; 2＇,3＇-b＇]pyrazinoporphyrazine）]- based network polymer （2H-Pz）. The tetranitril monomer was cyclo-tetramerised using metal salt and quinoline affording the corresponding porphyrazinato-metal II-based network polymers （M-Pz）, M = Co, Ni or Cu. Elemental analytical results, IR and NMR spectral data of the prepared molecules are consistent with their assigned formulations. Molecular masses and metal contents of the synthesized polymers proved to be of high molecular masses which confirm the efficiency of tetramerization polymerization and complexation reactions. The prepared pyrazinoporphyrazines were used as efficient catalysts for the oxidation of thiophenol and benzylthiol to their disulfides in the presence of air atmosphere. The results of oxidation of thiophenol and benzylthiol show that after 15 min the maximum yield of the corresponding disulfides reached 95%, 91%, respectively.

关键词： Pyrazinoporphyrazine Polymer-supported metal (II)-based catalysts Chloranil.

Hydrothermal Synthesis and Crystal Structure of a Novel Polymolybdate with Two Kinds of Organonitrogen Ligands

在线全文

学校读者我要写书评

暂无评论

Chinese Journal of Structural chemistry 2011年第8期30卷 1178-1182页

作者：陈武华胡志彪张森丘则海周云龙赵金花袁秋兰项小燕王先鸣 College of chemistry and material science Longyan University Department of chemistry Fuzhou University

A novel inorganic-organic compound （C4N2H12）（C2N2H10）2[Mo5P2O23] （1） has been synthesized by the reaction of （NH4）2MoO4, H3PO4, C2N2H8 （ethylenediaminium）, C4N2H10·6H2O （piperazine hexahydrate） and water in aqueous solution under mild hydrothermal conditions. Single-crystal X-ray analysis reveals that the title compound is crystallized in the triclinic system, space group P1 with a = 9.258（19）, b = 9.382（19）, c = 17.681（4）, α = 76.28（3）, β = 84.48（3）, γ = 70.82（3）o, V = 1408.9（6）3, Mr = 1122.04, Z = 2, Dc = 2.645 g/cm3, μ = 2.384 mm-1, F（000） = 1092.0, the final R = 0.0391, wR = 0.1185 and S = 1.006 for 6169 observed reflections with I 2σ（I）. The crystal packing is stabilized by intra- and intermolecular N–H···O hydrogen bonds to form an infinite 3D network.

关键词： hydrothermal synthesis hybrid compounds polyoxometalate crystal structure

Bilirubin sensor based on CuO-CdO composites deposited in a nafion/glassy carbon electrode matrixes

在线全文

学校读者我要写书评

暂无评论

Progress in Natural science:materials International 2017年第5期27卷 566-573页

作者： Mohammed M.Rahman Mohammad Musarraf Hussain Abdullah M.Asiri chemistry Department King Abdulaziz UniversityFaculty of Science Center of Excellence for Advanced material Research (CEAMR) King Abdulaziz University

Copper oxide-cadmium oxide nanocomposites(CuO-CdO NCs) were synthesized by solvothermal technique in a basic medium. CuO-CdO NCs were characterized using conventional techniques, such as Fourier Transform Infrared Spectroscopy(FTIR), UV–Visible Spectroscopy(UV/Vis), Field-Emission Scanning Electron Microscopy(FESEM), X-ray electron dispersive spectroscopy(XEDS), X-ray photoelectron spectroscopy(XPS), and powder X-ray diffraction(XRD). A selective and enzyme-less Bilirubin(BLR) sensor was developed with a thin-layer of NCs onto a glassy carbon electrode(GCE, surface area = 0.0316 cm~2) using 5% nafion binders at room conditions. Improved electrochemical performances of higher sensitivity, lower detection limit,linear dynamic range(LDR), and long-term stability of preferred BLR were achieved by a reliable currentvoltage(I-V) approach. The calibration curve was found linear(R~2= 0.9347) in a wide range of BLR concentration(10.0 pM ~ 10.0 mM). Based on the signal to noise ratio value of 3, the sensitivity and limit of detection(LOD) of the sensor were calculated as 95.0 pA μM-1cm-2and 1.0 ± 0.1 pM *** synthesized CuO-CdO NCs/GCE is an excellent advancement of developing a selective and sensitive BLR sensor by electrochemical approach and practically implemented in real sample applications.

关键词： CuO-CdO nanocomposites Bilirubin biosensor Glassy carbon electrode Sensitivity Real sample analysis Health care field

Hydrothermal Synthesis and Crystal Structure of a Novel Polyoxometalate K(C_4N_2H_(12))_4(C_4N_2H_(11))_2- [Mo_8~VMo_4^(VI)CdP_8O_(54)(OH)_8]F·6H_2O

在线全文

同方期刊数据库

学校读者我要写书评

暂无评论

Chinese Journal of Structural chemistry 2009年第12期28卷 1677-1680页

作者：陈武华周云龙拓宏桂胡志彪张森丘则海张丽曾庆新 College of chemistry and material science Longyan University Department of chemistry Fuzhou University

The title compound 1 has been synthesized by the reaction of H2MoO4,CdCl2,H3PO4,KF,piperazine hexahydrate and water in aqueous solution under mild hydrothermal conditions. Single-crystal X-ray analysis reveals that the title compound crystallizes in the triclinic system,space group P1 with a = 14.049（3）,b = 15.972（3）,c = 20.043（4） A,α = 85.82（3）,β = 81.28（3）,γ = 67.15（3）°,V = 4095.9（14） A^3,Mr = 3204.62,Z = 2,Dc = 2.598 g/c^m3,μ = 2.360 mm^-1,F（000） = 3124,the final R = 0.0314,wR = 0.0826 and S = 0.989 for 18592 observed reflections with I 〉 2σ（I）. The crystal packing is stabilized by N–H… and O–H… intraand intermolecular hydrogen bonds to form an infinite 3D network.

关键词： hydrothermal synthesis polyoxometalate crystal structure

Effect of Some Heterocyclic Derivatives on the Removal of Copper Ions from Wastewater by Cementation

在线全文

学校读者我要写书评

暂无评论

Journal of materials science & Technology 2004年第5期20卷 539-546页

作者： A.A.Taha M.G.Marei D.E.Abd El-khalek Department of chemistry Faculty of ScienceUniversity of AlexandriaAlexandriaEgyptDepartment of ChemistryFaculty of ScienceUniversity of AlexandriaAlexandriaEgyptDepartment of ChemistryFaculty of ScienceUniversity of AlexandriaAlexandriaEgypt

Removal of copper ions from copper sulphate solutions on a rotating zinc rod in absence and in presence of 3(2H)-furanones and 4H-pyran-4-one derivatives was investigated experimentally. Variables studied were initial copper ions concentration, rotational speed of the zinc rod, temperature and concentration of organic additives. It was found that cementation reaction is first order in presence and in absence of additives. Increasing concentration of initial copper ions, rotational speed of the zinc rod and temperature were found to increase the rate of cementation. In presence of organic additives an enhancement of the rate was observed, except in presence of methoxyfuranone the rate was found to decrease by an amount ranging from 11.74% to 33.79%. Rate acceleration or inhibition is associated mainly with changes in the structure of the additives as well as its concentration. The apparent activation energy for the cementation process in presence of different additives was estimated and was found to be ranged between 11.8 kJ/mol and 25.95 kJ/mol. These values suggest that the copper removal process in presence of these additives is controlled by diffusion. A scanning electron microscopy study of copper deposits obtained in presence of tolylfuranone, phenylpyrone and methoxyfuranone correlate with their behaviour during the kinetic study. Different reaction conditions and the physical properties of solutions were studied to obtain dimensionless correlation among all these parameters. It was found that on applying cementation reaction on a sample from industrial wastewater in presence of phenylpyrone about 91.9% of Cu2+ are removed.

关键词： Cementation of copper Furanone and pyrone derivatives

Computational investigation of the co-doping effect of sulphur and nitrogen on the electronics of CsTaWO_(6)

在线全文

学校读者我要写书评

暂无评论

Journal of Materiomics 2017年第1期3卷 71-76页

作者： Liuxie Liu Laicai Li Quan Li Chenghua Sun College of chemistry and material science Sichuan Normal UniversityChengdu610068China School of chemistry Faculty of ScienceMonash UniversityClaytonVIC3800Australia

CsTaWO_(6) is a typical AMWO_(6)-type compound and the photocatalysis of the pure and doped phases has been extensively studied *** this work,the electronic structures of sulphur(S)and nitrogen(N)co-doped CsTaWO_(6) have been studied in the framework of density functional theory,in particular the S/N co-doping effect has been *** is found that,(i)S/N co-dopants prefer to be separated;(ii)middle-gap states are introduced by Ne and S-dopant at the edges of valence band and conduction band;and(iii)Co-doping not only narrows the band gap,but also promotes the separation of photo-excited electrons and ***(iii)has been identified as a key reason why S/N co-doped CsTaWO_(6) is more efficient in photocatalytic water-splitting.A general doping strategy has been further suggested:co-dopants which can dominate the frontier states and favour to be separated can offer excellent photocatalysis performance.

关键词： CsTaWO_(6) Doping Photocatalysis Density functional theory

Density Functional Theory Investigation on the Second-Order Nonlinear Optical Properties of Chlorobenzyl-o-Carborane Derivatives

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Chinese Journal of chemistry 2012年第10期30卷 2349-2355页

作者：刘岩杨国春孙世玲苏忠民 Institute of Functional material chemistry Faculty of ChemistryNortheast Normal UniversityChangchunJilin 130024China

The structures and second-order nonlinear optical （NLO） properties of a series of chlorobenzyl-o-carboranes derivatives （1 12） containing different push-pull groups have been studied by density functional theory （DFT） cal- culation. Our theoretical calculations show that the static first hyperpolarizability （fltot） values gradually increase with increasing the π-conjugation length and the strength of electron donor group. Especially, compound 12 exhibits the largest βtot （62.404 × 10^-30 esu） by introducing tetrathiafulvalene （TTF）, which is about 76 times larger than that of compound 1 containing aryl. This means that the appropriate structural modification can substantially increase the first hyperpolarizabilities of the studied compounds. For the sake of understanding the origin of these large NLO responses, the frontier molecular orbitals （FMOs）, electron density difference maps （EDDMs）, orbital energy and electronic transition energy of the studied compounds are analyzed. According to the two-state model, the lower transition energy plays an important role in increasing the first hyperpolarizability values. This study may evoke possible ways to design preferable NLO materials.

关键词： chlorobenzyl-o-carborane tetrathiafulvalene (TTF) ferrocene nonlinear optical property densityfunctional theory (DFT)

Electrochemical capacitors based on the composite of graphene and nickel foam

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

science China chemistry 2016年第4期59卷 405-411页

作者： Songwei Li Min Wang Yongfu Lian Key Laboratory of Functional Inorganic material chemistry Ministry of Education School of chemistry and materials science Heilongjiang University

An improved Hummers method was developed for the simple and efficient production of high-quality graphene oxide （GO）, and the composite of GO and nickel foam （NF）（GO/NF） was fabricated by ultrasonication-vacuum-assisted deposition of an aqueous solution of GO on NF. After chemical or thermal reduction, the composite of reduced GO and nickel foam （rGO/NF） was obtained. The electrochemical capacitance performance of rGO/NF was investigated using cyclic voltammetry and gal- vanostatic charge/discharge measurements. The chemically reduced rGO/NF composite （C-rGO/NF） exhibited high specific capacitance of 379 F/g at 1.0 A/g and 266.5 F/g at 10 A/g. We also prepared thermally reduced graphene oxide at 473 K in or- der to illuminate the difference in effect between the chemical and low-temperature thermal reduction methods on electro- chemical properties. The cycling performance of thermally reduced rGO/NF composite （T-rGO/NF） and C-rGO/NF had ~91% and ~95% capacitance retention after 2000 cycles in a 6 mol/L KOH electrolyte, respectively. Electrochemical experiments in- dicated that the obtained rGO/NF has very good capacitive performance and could be used as a potential application of elec- trochemical capacitors. Our work revealed high electrochemical capacitor performance of rGO/NF composite and provided a facile method of rGO/NF preparation.

关键词： electrochemical capacitor graphene oxide nickel foam reduction