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Computational Study on Spirocyclic Compounds as Energetic Materials (I)

Won Seok2014-04-20Bulletin of the Korean Chemical Society

The molecular structures of 2,6-diaza-1,3,5,7-tetraoxaspiro[3,3]heptane (1) and its dinitro derivative, 2,6-dinitro-2,6-diaza-1,3,5,7-tetraoxaspiro[3,3]heptane (2), were fully optimized without symmetry constraints at $HF/6-31G^*$ level of theory. A bisected conformation with respect to the ring is preferred with a $C…

Energetic Materials and CombustionThermal and Kinetic AnalysisChemical Reactions and Mechanisms

Remove of Sulphate Ion from Environmental Systems by using AlN Nanotubes

Mohammad T. Baei、Saeedeh Hashemian、Parviz Torabi 等 4 位作者2014-04-20Bulletin of the Korean Chemical Society

The adsorption behavior of the sulphate ( $SO{_4}^{2-}$ ) on the external surface of (5,0), (8,0), and (10,0) zigzag AlNNTs was studied by using density functional calculations. Adsorption energies in the nanotubes are about -8.59, -8.04, -8.60 eV with a charge transfer of 0.59, 0.48, 0.56|e| from the sulphate ion to…

GaN-based semiconductor devices and materialsGas Sensing Nanomaterials and SensorsBoron and Carbon Nanomaterials Research

Applicability of Specific Trend’s Consistency of Full Hydrogenation

Muhammad Yusuf Ritonga2014-04-20Indian Journal of Science and Technology

This paper reports the application of specific trend’s consistency of Full Hydrogenation (FH) of SCPOFA to establish operating conditions for providing new product of Partially Hydrogenated (PH) fatty acid, an Intermediate Raw Material (IRM) of a mixed fatty acid T40, which is a modification of fatty acid products. Co…

Crystallization and Solubility StudiesAgricultural and Biological ResearchChemical and Environmental Engineering Research

Effect of pH on the Infrared Radiation Property of CoFe2O4 Powders Synthesized by Sol-Gel Method

Xiaoyan Wu、Hongbing Yu、Heng Dong 等 5 位作者2014-04-20Journal of Inorganic Materials

Cobalt ferrite powders with excellent infrared radiation property were synthesized via the Sol-Gel method, where iron nitrate and cobalt nitrate were used as the original materials and citric acid as the chelating reagent. The effects of pH of the starting solution (pH=1, 3, 5 and 7) on the infrared radiation property…

Magnetic Properties and Synthesis of FerritesTransition Metal Oxide NanomaterialsPigment Synthesis and Properties

Reviewing of Insulator Selection Criteria for Overhead Power Lines in Coastal Areas of Sri Lanka

A. C. S. Wijayatilake2014-04-20Engineer Journal of the Institution of Engineers Sri Lanka

"ENGINEER", established in 1973 by The Institution of Engineers, is a Journal for dissemination of Engineering knowledge, published quarterly.If you are interested in contributing an Original Technical Paper based on research by the author(s) (intended for Section I) or an Original Article of Professional or Technical…

High voltage insulation and dielectric phenomenaPower Line Communications and NoiseIslanding Detection in Power Systems

Effect of heat treatment conditions on microstructure and magnetic property of Fe 77 Co 2 Zr 9 B 10 Cu 2 alloy

Wanqiu Yu、X.C. Meng、Bin Zuo 等 6 位作者2014-04-20Modern Physics Letters B

Fe 77 Co 2 Zr 9 B 10 Cu 2 alloy prepared by melt-spinning was annealed at different heat treatment conditions. The thermal property, microstructure and magnetic property of alloys were investigated by differential thermal analysis (DTA), X-ray diffraction (XRD), transmission electron microscopy (TEM) and vibrating sam…

Metallic Glasses and Amorphous AlloysMagnetic Properties and ApplicationsMagnetic Properties of Alloys

Synthesis of Large Bumpy Silver Nanostructures with Controlled Sizes and Shapes for Catalytic Applications

Ju-Hwan Oh、Do Yeon Kim、Jae‐Seung Lee2014-04-20Bulletin of the Korean Chemical Society

We have synthesized disc-like large silver nanomaterials that have nanostructured bumps on the surface using smaller nanoplate seeds. The size and shape of the bumpy nanostructures are rationally controlled by changing the concentrations of nanoplate seeds, silver ion, reductant, and citrate ion. Importantly, the synt…

Gold and Silver Nanoparticles Synthesis and ApplicationsNanocluster Synthesis and ApplicationsNanomaterials for catalytic reactions

DFT Studies on Two Novel Explosives Based on the Guanidine-Fused Bicyclic Structure

Xinghui Jin、Bingcheng Hu、Huanqing Jia 等 5 位作者2014-04-20Bulletin of the Korean Chemical Society

Density functional theory (DFT) calculations at the B3LYP/6-31G(d,p) theoretical level were performed for two novel explosives (compounds B and C) based on the guanidine-fused bicyclic skeleton $C_4N_6H_8$ (A). The heats of formation (HOFs) were calculated via isodesmic reaction. The detonation properties were evaluat…

Energetic Materials and CombustionThermal and Kinetic AnalysisChemical Reactions and Mechanisms

Two-step thinning fabrication of giant magnetoresistance sensors for flexible applications

Cong Yin、Dan Xie、Jianlong Xu 等 4 位作者2014-04-20Modern Physics Letters B

Spin valve giant magnetoresistance (GMR) sensors were prepared by a two-step thinning method combining grind thinning and inductively coupled plasma (ICP) etching together. The fabrication processes of front GMR sensors and backside ICP etching were described in detail. Magnetoresistance ratio of about 4.24% and coerc…

Magnetic properties of thin filmsZnO doping and propertiesElectronic and Structural Properties of Oxides

Synthesis, Structural Characterization, and Catalytic Activity of Flower Like ZnO Nanostructures

K. Ramachandran、G. Gnana kumar、Ae Rhan Kim 等 4 位作者2014-04-20Bulletin of the Korean Chemical Society

Tageteserecta flower like zinc oxide nanostructures composed of hexagonal nanorods were synthesized via sonochemical method at room temperature. The synthesized nanomaterials exhibited wurtzite hexagonal phase structure with the single crystalline nature. The diameter of the individual nanorods that constitute the flo…

ZnO doping and propertiesGas Sensing Nanomaterials and SensorsCopper-based nanomaterials and applications

Synthesis and Characterization of New Nickel Phosphates, ANi4(PO4)3(A=K, Rb)

Yoonmi Im、Pilsoo Kim、Hoseop Yun2014-04-20Bulletin of the Korean Chemical Society

for 72 h. The tube was cooled to room temperature at the rate of 12 K/h. In both cases, the excess halide was removed with distilled water and yellow needle-shaped crystals were obtained. The role of chalcogens in the reactions is not clear but it is helpful to obtain the product as single crystals. The crystals are s…

Crystal Structures and PropertiesRadioactive element chemistry and processingChemical Synthesis and Characterization

3D ATOM PROBE CHARACTERIZATION OF MICRO-STRUCTURE OF TiBx/Al SUPERSATURATEDSOLID SOLUTE COMPOSITE FILMS

Hailong Shang、Wenqing Liu、Yujun Dong 等 6 位作者2014-04-20Acta Metallurgica Sinica

In order to reveal the solute existing form and its effect on the microstructure and mechanical properties in the supersaturated solid solute films, TiBx/Al composite film with 7.1%TiBx (atomic fraction) was synthesized by magnetron co-sputtering using Al and TiB2 targets. The microstructure and mechanical properties…

Metal and Thin Film MechanicsDiamond and Carbon-based Materials ResearchAluminum Alloys Composites Properties

Research of distribution of plastic deformation on thickness of steel strips

А. V. Aldunin、A. V Shumeev2014-04-20Izvestiya MGTU MAMI

The article is about the research of distribution of deformation on thickness of the maple samples received by means of hot rolling. In relation to these conditions when rolling in broadband camp, distribution of deformation on thickness of strips was estimated by method of screws, and character of structure was speci…

Metallurgy and Material FormingMetal Alloys Wear and PropertiesDiverse Industrial Engineering Technologies

Structure and wear resistance of carbide-containing multilayer coating after oxyacetylene welding

А. А. Паркин、С. С. Жаткин、Е. А. Минаков 等 4 位作者2014-04-20Izvestiya MGTU MAMI

The paper is devoted to study of structure, mechanical properties and wear resistance of multilayer coating formed by oxyacetylene welding carbide-containing rods, powder material with nickel sublayer. The amount of wear depends on the structure of the deposited material and welding conditions.

Tribology and Wear AnalysisMaterial Properties and ApplicationsSurface Treatment and Coatings

Preparation, Mechanical Properties and Thermal Properties of Elastic Aerogels

Guoqing Zu、Jun Shen、Li‐Ping Zou 等 6 位作者2014-04-20Journal of Inorganic Materials

Transparent and monolithic aerogels were prepared via acid-base two step Sol-Gel process with Me- thyltrimethoxysilane (MTMS), water, acetic acid and ammonia as precursor, solvent, acid and base accelerators, respectively, followed by drying under a supercritical condition using alcohol as drying medium. Scan electron…

Surface Modification and SuperhydrophobicityMesoporous Materials and CatalysisAerogels and thermal insulation

MEASUREMENT AND CALCULATION OF CARBON CONCENTRATION AND DIFFUSION-INDUCED STRESS IN STAINLESS STEEL AFTER LOW TEMPERATURE GAS CARBURIZING

Yanfei Wang、Jianming Gong、Dongsong Rong 等 4 位作者2014-04-20Acta Metallurgica Sinica

Low temperature gas carburizing has been established as a surface hardening process to improve the wear and fatigue resistance of austenitic stainless steel.In the gas carburizing treatment of stainless steel at low temperature,carbon diffuses into the steel to a depth up to dozens of or even hundreds of micrometers.I…

Microstructure and Mechanical Properties of SteelsMetallurgy and Material FormingMetal Alloys Wear and Properties

Effect of Calcination Temperature on Crystal Structure and Photocatalytic Prop- erty of TiO2/Diatomite Nanoparticles

Bin Wang、Guangxin Zhang、Shuilin Zheng 等 4 位作者2014-04-20Journal of Inorganic Materials

TiO2/diatomite photocatalysts were synthesized by a facile Sol-Gel method using diatomite as supporter and tetrabutyl titanate (TBOT) as precursor. The crystalline and morphological properties of catalysts with different calcination temperatures were characterized by X-ray diffraction (XRD), Fourier-transform infrared…

TiO2 Photocatalysis and Solar CellsAdvanced Photocatalysis TechniquesNanoparticles: synthesis and applications

Construction of a 2D Co(II) Coordination Polymer with (4,4)-Connected Topology: Synthesis, Crystal Structure, and Surface Photo-electric Property

Jia‐Ming Li2014-04-20Bulletin of the Korean Chemical Society

A 2D grid-like (4, 4)-connected topology coordination polymer, $[Co(BTA)_2(H_2O)_2 ] _n$ (1), where HBTA = 2-(1H-benzotriazol-1-yl)acetic acid, has been synthesized by hydrothermal method and characterized by single crystal X-ray diffraction, IR spectroscopy, elemental analysis and surface photovoltage spectroscopy (S…

Metal-Organic Frameworks: Synthesis and ApplicationsMagnetism in coordination complexesCovalent Organic Framework Applications

A THERMODYNAMIC MODEL FOR DIRECTIONAL SOLIDIFICATION OF METAL-HYDROGENEUTECTIC

Zaijiu Li、Qinglin Jin、Yang Tianwu 等 5 位作者2014-04-20Acta Metallurgica Sinica

With the thermodynamic analysis on directional solidification of metal-hydrogen eutectic, a theoretical model was developed to predict the effect of the Gasar processing parameters on the pore diameter and interpore spacing. The model was applied for the Gasar porous Cu fabricated by continuous casting process. The av…

Solidification and crystal growth phenomenaMetallurgy and Material FormingMetallurgy and Material Science

Synthesis of Cd1-xZnxS/K4Nb6O17Composite and its Photocatalytic Activity for Hydrogen Production

Yinghua Liang、Meiyi Shao、Li Liu 等 5 位作者2014-04-20Bulletin of the Korean Chemical Society

$Cd_{1-x}Zn_xS$ -sensitized $K_4Nb_6O_{17}$ composite photocatalysts (designated $Cd_{1-x}Zn_xS/K_4Nb_6O_{17}$ ) were prepared via a simple deposition-precipitation method. The samples were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), energy disp…

Advanced Photocatalysis TechniquesCopper-based nanomaterials and applicationsElectronic and Structural Properties of Oxides