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Ab initio Molecular Dynamics Study on Small Carbon Nanotubes

Lin-Hui Ye、Bang‐Gui Liu、Wang Dingsheng2001-10-10Chinese Physics Letters

Ab initio molecular dynamics simulations are performed on small single wall nanotubes. By structural relaxation, the equilibrium C-C bond lengths and bond angles are determined. Our result shows that for both zigzag and armchair nanotubes there are two nonequivalent bond lengths. One bond stretches from that of the gr…

Carbon Nanotubes in CompositesGraphene research and applicationsBoron and Carbon Nanomaterials Research

New Tellurites: Syntheses, Structures, and Characterization of K2Te4O9·3.2H2O, KGaTe6O14, and KGaTe2O6·1.8H2O

Kang Min Ok、P. Shiv Halasyamani2001-10-10Chemistry of Materials

Single crystals of K 2 Te 4 O 9 ·3.2H 2 O, KGaTe 6 O 14, and KGaTe 2 O 6 ·1.8H 2 O have been synthesized by supercritical hydrothermal methods using KOH, TeO 2, and Ga 2 O 3 as reagents. K 2 Te 4 O 9 ·3.2H 2 O has a layered structure, whereas KGaTe 6 O 14 and KGaTe 2 O 6 ·1.8H 2 O have three-dimensional frameworks. In…

Zeolite Catalysis and SynthesisCrystal Structures and PropertiesSolid-state spectroscopy and crystallography

Preparation and characterization of polyamide‐6 with three‐branched chains

Lixing Dai、Nanxun Huang、Zhilian Tang 等 4 位作者2001-10-10Journal of Applied Polymer Science

Abstract With trimesinic acid as a molecular weight regulator, the hydrolytic polymerization of ϵ‐caprolactam was carried out, and nylon‐6 or polyamide‐6 with three‐branched chains was obtained. Through a systematic study of the effects of conditions such as the reaction time and concentration of trimesinic acid on th…

Polymer crystallization and propertiesAdvanced Polymer Synthesis and Characterizationbiodegradable polymer synthesis and properties

Magnetic Structure Determination from Powder Diffraction Symmetry Analysis and Simulated Annealing

Juan Rodríquez-Carvajal2001-10-10Materials science forum

The classical approach for solving magnetic structures is the “trial and error” (TE) method. The reason is that many studies have been performed on relatively simple systems and the fact that the dominant isotropic exchange interactions, in absence of frustration, favour simple collinear structures. The improvement of…

Advanced NMR Techniques and ApplicationsNuclear Physics and ApplicationsX-ray Diffraction in Crystallography

Line Profile Analysis in the Rietveld Method and Whole-Powder-Pattern Fitting

Paolo Scardi、Yuhui Dong、Matteo Leoni2001-10-10Materials science forum

Analytical profiles are used in most programs for Whole Powder Pattern Fitting (WPPF) and Reitveld method used in microstructural as well as in structural studies. The present work deals with the effect of microstructure and lattice defects on the shape, width and position of diffraction profiles, and their role in WP…

X-ray Diffraction in CrystallographyCrystallography and Radiation Phenomena

CANDIDATES FOR μ<0, ∊<0 NANOSTRUCTURES

Graeme Dewar2001-10-10International Journal of Modern Physics B

Recent interest has been generated in composite materials for which both the dielectric constant and the magnetic permeability are negative. These composites behave as if they possess a negative index of refraction, although the broader, less specific adjective "left-handed" has also been applied to them. Such composi…

Metamaterials and Metasurfaces ApplicationsPlasmonic and Surface Plasmon ResearchAdvanced Antenna and Metasurface Technologies

Renormalization approach to the Kubo formula in Fibonacci systems

Vicenta Sánchez、Luis A. Pérez、Raúl Oviedo‐Roa 等 4 位作者2001-10-10Physical review. B, Condensed matter

A renormalization method is developed for the Kubo-Greenwood formula, in order to analyze the electronic transport in large quasiperiodic lattices at zero temperature, within a tight-binding model. The results show a scaling invariance of the conduction spectrum around the transparent state, where a periodic oscillati…

Graph theory and applicationsQuasicrystal Structures and PropertiesAdvanced Mathematical Theories and Applications

Mechanical properties and morphology of the modified HDPE/starch reactive blend

Byung Chul Jang、Soo Young Huh、Jeong Gyu Jang 等 4 位作者2001-10-10Journal of Applied Polymer Science

Abstract We investigated the effect of reactive blending on the mechanical properties and morphology of high‐density polyethylene (HDPE)/plasticized starch blends. HDPE was chemically modified to enhance the compatibility with the plasticized starch. The modified HDPE, HDPE‐ g ‐glycidyl methacrylate (GMA), was synthes…

Food composition and propertiesNanocomposite Films for Food Packagingbiodegradable polymer synthesis and properties

Anomalous Thermal Hysteresis in Magnetization and Resistivity ofLa1−xSrxMnO3

Joonghoe Dho、W. S. Kim、Kyu Hyung Lee2001-10-10Physical Review Letters

We have investigated thermal hysteresis of magnetization and resistivity in $\mathrm{La}{}_{1\ensuremath{-}x}{\mathrm{Sr}}_{x}{\mathrm{MnO}}_{3}$ $(0.5\ensuremath{\le}x\ensuremath{\le}0.6)$ with an $A$-type antiferromagnetic structure. For $0.52\ensuremath{\le}x\ensuremath{\le}0.56$, the magnetization curve exhibits a…

Magnetic and transport properties of perovskites and related materialsMultiferroics and related materialsAdvanced Condensed Matter Physics

Novel Degradable Polymers Combiningd-Gluconic Acid, a Sugar of Vegetal Origin, with Lactic and Glycolic Acids

Katarina Marcincinova-Benabdillah、Mahfoud Boustta、Jean Coudane 等 4 位作者2001-10-10Biomacromolecules

To synthesize functionalized poly(lactic acid-co-glycolic acid)-based polyesters for biomedical and pharmaceutical applications such as controlled drug delivery, D-gluconic acid was considered as an interesting source of comonomer. Accordingly D-gluconic acid was used to synthesize novel 1,4-dioxane-2,5-diones with pr…

biodegradable polymer synthesis and propertiesCarbon dioxide utilization in catalysisSynthesis and properties of polymers

Cellulose phosphates as biomaterials. II. Surface chemical modification of regenerated cellulose hydrogels

Pedro L. Granja、Laurent Pouységu、D. Deffieux 等 8 位作者2001-10-10Journal of Applied Polymer Science

Abstract Cellulose regenerated by the viscose process was previously investigated as an implantable material in orthopedic surgery. It was envisaged to take advantage not only of its good matching with mechanical properties of bone but also of its hydroexpansivity, therefore allowing a satisfactory fixation to hard ti…

Surface Modification and SuperhydrophobicityAdvanced Cellulose Research StudiesElectrospun Nanofibers in Biomedical Applications

Recycling of EPDM waste. II. Replacement of virgin rubber by ground EPDM vulcanizate in EPDM/PP thermoplastic elastomeric composition

C. K. Jacob、P. P. De、Anil K. Bhowmick 等 4 位作者2001-10-10Journal of Applied Polymer Science

Abstract Virgin ethylene propylene diene monomer (EPDM) rubber in a thermoplastic elastomeric blend of polypropylene (PP) and EPDM rubber was substituted by ground EPDM vulcanizate of known composition, after which the mechanical properties of the raw EPDM/waste EPDM/PP blends were determined. The ratio of the rubber…

Polymer crystallization and propertiesPolymer Nanocomposites and Propertiesbiodegradable polymer synthesis and properties

Solution Structure Investigation of Ru(II) Complex Ion Pairs: Quantitative NOE Measurements and Determination of Average Interionic Distances

Cristiano Zuccaccia、Gianfranco Bellachioma、Giuseppe Cardaci 等 4 位作者2001-10-10Journal of the American Chemical Society

The structure of the Ru(II) ion pairs trans-[Ru(COMe)[(pz(2))CH(2)](CO)(PMe(3))(2)]X (X(-) = BPh(4)(-), 1a; BPh(3)Me(-), 1b; BPh(3)(n-Bu)(-), 1c; BPh(3)(n-Hex)(-), 1d; B(3, 5-(CF(3))(2)(C(6)H(3)))(4)(-), 1e; PF(6)(-), 1f; and BF(4)(-), 1g; pz = pyrazol-1-yl-ring) was investigated in solution from both a qualitative (c…

Organometallic Complex Synthesis and CatalysisMetal complexes synthesis and propertiesLanthanide and Transition Metal Complexes

Sonochemistry of Surfactants in Aqueous Solutions: An EPR Spin-Trapping Study

Joe Z. Sostaric、Péter Riesz2001-10-10Journal of the American Chemical Society

The surfactant properties of solutes play an important role in the sonochemistry and sonoluminescence of aqueous solutions. Recently, it has been shown, for relatively low molecular weight surfactants, that these effects can be correlated with the Gibbs surface excess of the solute. In the present study we investigate…

Ultrasound and Hyperthermia ApplicationsAdvanced Chemical Sensor TechnologiesUltrasound and Cavitation Phenomena

Study on the preparation and properties of styrene–butyl acrylate–silicone copolymer latices

Cheng You Kan、De Shan Liu、Xiang Zheng Kong 等 4 位作者2001-10-10Journal of Applied Polymer Science

Abstract Copolymer latices of styrene–butyl acrylate–silicone were prepared using a semicontinuous addition process and batch and monomer emulsion addition processes. The results showed that a stable latex with narrow particle size dispersion and a high monomer conversion can be obtained only by the semicontinuous add…

Advanced Polymer Synthesis and CharacterizationSilicone and Siloxane ChemistryPhotopolymerization techniques and applications

Recycling of EPDM waste. I. Effect of ground EPDM vulcanizate on properties of EPDM rubber

C. K. Jacob、P. P. De、Anil K. Bhowmick 等 4 位作者2001-10-10Journal of Applied Polymer Science

Abstract Processing, cure characteristics, and mechanical properties of EPDM rubber containing ground EPDM vulcanizate of known composition were studied. Mooney viscosity increases and Mooney scorch time decreases by the addition of the ground vulcanizate. At higher loadings of the ground rubber, the maximum rheometri…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesTribology and Wear Analysis

Exchange Coupling in Cyano-Bridged Homodinuclear Cu(II) and Ni(II) Complexes: Synthesis, Structure, Magnetism, and Density Functional Theoretical Study

Antonio Rodríguez‐Fortea、Pere Alemany、Santiago Álvarez 等 11 位作者2001-10-10Inorganic Chemistry

The synthesis and structural characterization of several new cyano-bridged copper(II) and nickel(II) homodinuclear complexes is presented. The measure of magnetic properties for these complexes is complemented with a computational study of the exchange coupling for several model structures representing this family of…

Metal complexes synthesis and propertiesMagnetism in coordination complexesLanthanide and Transition Metal Complexes

Preparation and characterization of poly(vinyl alcohol)‐based magnetic nanocomposites. 1. Thermal and mechanical properties

Daniel López、Ione Cendoya、Francesc Torres 等 5 位作者2001-10-10Journal of Applied Polymer Science

Abstract CoFe 2 O 4 magnetic nanoparticles were prepared by in situ precipitation and oxidation of Co 2+ and Fe 2+ within a sulfonated polystyrene resin. The nanometric particles were characterized by X‐ray diffraction. A ferrofluid was prepared from the CoFe 2 O 4 mineralized polymer resin and water. Poly(vinyl alcoh…

Advanced Battery Materials and TechnologiesPolymer Nanocomposites and PropertiesElectromagnetic wave absorption materials

Highly Selective Chlorosulfonation of Tris(pentafluorophenyl)corrole as a Synthetic Tool for the Preparation of Amphiphilic Corroles and Metal Complexes of Planar Chirality

Atif Mahammed、Israel Goldberg、Zeev Gross2001-10-10Organic Letters

[reaction: see text]. The chlorosulfonation of tris(pentafluorophenyl)corrole proceeds with an extremely high selectivity as to afford one out of 139 possible isomers in very high yield. The bis-chlorosulfonated corrole is an excellent precursor to the planar-chirality (triphenylphosphine)cobalt(III) complex (fully ch…

Porphyrin and Phthalocyanine ChemistryMetal-Catalyzed Oxygenation MechanismsSurface Chemistry and Catalysis

Synthesis, characterization and catalytic hydroxylation of phenol over CuCoAl ternary hydrotalcites

V. Rives、Amit Dubey、Kannan Srinivasan2001-10-10Physical Chemistry Chemical Physics

Copper–cobalt–aluminium hydrotalcites with (Cu + Co)/Al atomic ratio of 3.0 and Cu/Co atomic ratios 80:20, 75:25, 50:50, 33:67, 25:75 and 20:80 were synthesized by coprecipitation under low supersaturation and characterized by various physicochemical techniques. Powder X-ray diffraction (PXRD) showed a single phase wi…

Layered Double Hydroxides Synthesis and ApplicationsInorganic Chemistry and Materials