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Molecular structure, NMR and vibrational spectral analysis of 2,4‐difluorophenol by ab initio HF and density functional theory

M.K. Subramanian、P. M. Anbarasan、S. Manimegalai2009-05-08Journal of Raman Spectroscopy

Abstract Quantum chemical calculations of energies, geometries and vibrational wavenumbers of 2,4‐difluorophenol (2,4‐DFP) were carried out by using ab initio HF and density functional theory (DFT/B3LYP) methods with 6‐311G(d,p) as basis set. The optimized geometrical parameters obtained by HF and DFT calculations are…

Nonlinear Optical Materials ResearchPhotochemistry and Electron Transfer StudiesChemical Reactions and Mechanisms

High pressure crystallography of inorganic and organometallic complexes

Stephen A. Moggach、Simon Parsons2009-05-08Royal Society of Chemistry eBooks

Crystallographic work on transition metal complexes at high pressure has been used broadly either to explore intra- and inter-molecular potentials, or to modify the properties of functional materials. In the former category, it has been shown that high-pressure alters intermolecular interactions, such as hydrogen bond…

Magnetism in coordination complexesCrystallography and molecular interactionsOrganic and Molecular Conductors Research

Nano/micro ternary composites based on PP, nanoclay, and CaCO3

Luigi Sorrentino、Francesco Berardini、M.R. Capozzoli 等 5 位作者2009-05-08Journal of Applied Polymer Science

Abstract Nano‐/microcomposites based on polypropylene/montmorillonite/calcium carbonate were prepared by melt mixing. Their structures and properties were characterized by small‐angle X‐ray diffraction, thermal analysis, and rheological measurements. The intercalation degree was found to be dependent on the compatibil…

Polymer crystallization and propertiesPolymer Nanocomposites and Propertiesbiodegradable polymer synthesis and properties

Diffusion-limited exciton-exciton annihilation in single-walled carbon nanotubes: A time-dependent analysis

Ajit Srivastava、Junichiro Kono2009-05-08Physical Review B

To provide physical insight into the recently observed photoluminescence saturation behavior in single-walled carbon nanotubes implying the existence of an upper limit of exciton densities, we have performed a time-dependent theoretical study of diffusion-limited exciton-exciton annihilation in the general context of…

Carbon Nanotubes in CompositesGraphene research and applicationsSpectroscopy and Quantum Chemical Studies

Negative refraction through an extraordinary transmission left-handed metamaterial slab

Miguel Beruete、Miguel Navarro‐Cía、M. Sorolla 等 4 位作者2009-05-08Physical Review B

In this work we present numerical and experimental results of negative refraction through a negative index metamaterial based on miniaturized extraordinary transmission stacked subwavelength hole arrays, also known as stacked fishnet structures, working in the millimeter wave range. Analytical transmittance as a funct…

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

Effect of PVDF characteristics on extruded film morphology and porous membranes feasibility by stretching

F. Sadeghi、Seyed H. Tabatabaei、Abdellah Ajji 等 4 位作者2009-05-08Journal of Polymer Science Part B Polymer Physics

Abstract Three different polyvinylidene fluoride (PVDF) resins were selected to develop porous membranes through melt extrusion and stretching. The effect of the polymer rheology on chain elongation in the melt state was studied. The possibility of generating a row‐nucleated lamellar crystallization for precursor film…

Advanced Sensor and Energy Harvesting MaterialsPolymer crystallization and propertiesPolymer Foaming and Composites

Poly(methyl methacrylate)/silica nanocomposite fibers by electrospinning

Y.J. Chen、Zhanpeng Zhang、Jian Yu 等 4 位作者2009-05-08Journal of Polymer Science Part B Polymer Physics

Abstract Uniform poly(methyl methacrylate) (PMMA)/silica nanocomposite fibers containing up to 20 wt % silica were prepared by electrospinning. The electrospun solutions were prepared by mixing a solution of PMMA in dimethyl formamide (DMF) with colloidal silica in methyl ethyl ketone (MEK). The average fiber diameter…

Advanced Sensor and Energy Harvesting MaterialsConducting polymers and applicationsElectrospun Nanofibers in Biomedical Applications

Low-temperature transport in highly boron-doped nanocrystalline diamond

P. Achatz、Wojciech Gajewski、E. Bustarret 等 11 位作者2009-05-08Physical Review B

We studied the transport properties of highly boron-doped nanocrystalline diamond thin films at temperatures down to 50 mK. The system undergoes a doping-induced metal-insulator transition with an interplay between intergranular conductance $g$ and intragranular conductance ${g}_{0}$, as expected for a granular system…

Physics of Superconductivity and MagnetismHigh-pressure geophysics and materialsDiamond and Carbon-based Materials Research

Seeding-Growth of Helical Mesoporous Silica Nanofibers Templated by Achiral Cationic Surfactant

Longping Zhou、Guosong Hong、Limin Qi 等 4 位作者2009-05-08Langmuir

Helical mesoporous silica nanofibers with parallel nanochannels were synthesized in high yield via a novel seeding-growth method by using the achiral cationic surfactant cetyltrimethylammonium bromide (CTAB) as template without auxiliary additives. A general entropy-driven model taking into account the icelike structu…

Zeolite Catalysis and SynthesisMesoporous Materials and CatalysisNanopore and Nanochannel Transport Studies

General and Simple Route to Micro/Nanostructured Hollow-Sphere Arrays Based on Electrophoresis of Colloids Induced by Laser Ablation in Liquid

Shikuan Yang、Weiping Cai、Jinling Yang 等 4 位作者2009-05-08Langmuir

A general and simple route was presented to fabricate hollow sphere arrays (HSAs) with hierarchical micro/nanostructure based on electrophoresis on a polystyrene colloidal monolayer in a corresponding colloidal solution prepared by laser ablation in liquid. Si was chosen as a model material to demonstrate the validity…

Quantum Dots Synthesis And PropertiesNonlinear Optical Materials StudiesLaser-Ablation Synthesis of Nanoparticles

Accurate minor loops calculation with a modified Jiles‐Atherton hysteresis model

Jean Vianei Leite、Abdelkader Bénabou、N. Sadowski2009-05-08COMPEL The International Journal for Computation and Mathematics in Electrical and Electronic Engineering

Purpose Although the original Jiles‐Atherton (J‐A) hysteresis model is able to represent a wide range of major hysteresis loops, in particular those of soft magnetic materials, it can produces non‐physical minor loops with its classical equations. The purpose of this paper is to show a modification in the J‐A hysteres…

Magnetic properties of thin filmsElectric Motor Design and AnalysisMagnetic Properties and Applications

SERS enhancements via periodic arrays of gold nanoparticles on silver film structures

Jason M. Montgomery、Alexandra Joshi‐Imre、U. Welp 等 5 位作者2009-05-08Optics Express

We discuss surface enhanced Raman spectroscopy (SERS) structures aimed at providing robust and reproducible enhancements. The structures involve periodic arrays of gold nanospheres near silver film structures that may also be patterned. They enable one to excite Bloch wave surface plasmon polaritons (SPPs) that can al…

Gold and Silver Nanoparticles Synthesis and ApplicationsPlasmonic and Surface Plasmon ResearchLaser-induced spectroscopy and plasma

The effects of dioctyl phthalate plasticization on the morphology and thermal, mechanical, and rheological properties of chemical crosslinked polylactide

Senlin Yang、Zhihua Wu、Bing Meng 等 4 位作者2009-05-08Journal of Polymer Science Part B Polymer Physics

Abstract The tensile strength and thermal stability of polylactide (PLA) were significantly improved through chemical crosslinking. However, it became much more rigid and brittle. To obtain a material with good thermal stability and enhanced ability to plastic deformation, chemical crosslinked PLA with 0.5 wt % triall…

Polymer crystallization and propertiesbiodegradable polymer synthesis and propertiesPolymer Foaming and Composites

Microwave Synthesis of Homogeneous YAG Nanopowder Leading to a Transparent Ceramic

Jieqiang Wang、Shaohua Zheng、Rong Zeng 等 5 位作者2009-05-08Journal of the American Ceramic Society

A homogeneous and extremely fine yttrium aluminum garnet (YAG) precursor powder was synthesized from solutions with a low [urea]/[metal ions] ratio under microwave irradiation, and pure phase YAG was directly crystallized from it at 1173 K. In the presence of sulfate ions, a fibrillar precursor that takes on a dendrit…

Luminescence Properties of Advanced MaterialsLiquid Crystal Research AdvancementsSilicone and Siloxane Chemistry

Spatial Structure and Composition of Polysaccharide−Protein Complexes from Small Angle Neutron Scattering

I. Schmidt、F. Cousin、C. Huchon 等 5 位作者2009-05-08Biomacromolecules

We use small angle neutron scattering (SANS), with an original analysis method, to obtain both the characteristic sizes and the inner composition of lysozyme-pectin complexes depending on the charge density. Lysozyme is a globular protein and pectin a natural anionic semiflexible polysaccharide with a degree of methyl…

Proteins in Food SystemsEnzyme Structure and FunctionElectrostatics and Colloid Interactions

Spectroscopic studies and reactions of corrosion products at surfaces and electrodes

Marek Odziemkowski2009-05-08Royal Society of Chemistry eBooks

It is broadly accepted that the rate of corrosion and oxidation of metals is determined by the nature of a reaction products or surface film formed on the interface between metal and the environment of interest that can be liquid or gas phase. It is therefore of fundamental importance to understand ...

Corrosion Behavior and InhibitionGas Sensing Nanomaterials and SensorsElectron and X-Ray Spectroscopy Techniques

Stress Development During Drying of Aqueous Zirconia Based Tape Casting Slurries Measured by Transparent Substrate Deflection Method

Christiane Bauer、Michael J. Cima、Armin Dellert 等 4 位作者2009-05-08Journal of the American Ceramic Society

During drying of water‐based tape casting slurries, high stresses can occur, which lead to crack formation. Under the variety of different techniques to measure the drying stresses, the deflect measurement technique is very common. Due to the nontransparent substrate, this technique has the disadvantage, that a direct…

Advanced ceramic materials synthesisAdditive Manufacturing and 3D Printing TechnologiesStructural Analysis of Composite Materials

Hydrogen-Bonded Polymer Nanotubes in Water

Anja Greß、Anne Heilig、Bernd M. Smarsly 等 5 位作者2009-05-08Macromolecules

Intermolecular hydrogen bonding, not hydrophobic interaction, is the driving force for the spontaneous self-assembly of glycosylated polyoxazoline chains into nanotubes in dilute aqueous solution. The structural information is encoded in the relatively simple molecular structure of chains consisting of a tertiary poly…

Advanced Polymer Synthesis and CharacterizationSupramolecular Chemistry and ComplexesSupramolecular Self-Assembly in Materials

Monomer/polymer Schiff base copper(II) complexes for catalytic oxidative polymerization of 2,2′‐dihydroxybiphenyl

Ali̇ Bi̇li̇ci̇、İsmet Kaya、Fati̇h Doğan2009-05-08Journal of Polymer Science Part A Polymer Chemistry

Abstract Catalytic oxidative polymerization of 2,2′‐dihydroxybiphenyl (DHBP) was performed by using both the Schiff base monomer‐Cu(II) complex and Schiff base polymer‐Cu(II) complex compounds as catalysts and hydrogen peroxide as oxidant, respectively. The dependence of monomer conversion and molecular weight distrib…

Advanced Polymer Synthesis and CharacterizationConducting polymers and applicationsPorphyrin and Phthalocyanine Chemistry

Polyfluorene Derivatives with Hydroxyl and Carboxyl Substitution: Electrosynthesis and Characterization

Changli Fan、Jingkun Xu、Wen Chen 等 7 位作者2009-05-08The Journal of Physical Chemistry C

Novel high-quality poly(9-hydroxyfluorene) (PHF), poly(9-fluorenecarboxylic acid) (PFCA), and poly(9-hydroxyl-9-fluorenecarboxylic acid) (PHFCA) films can be easily electrodeposited by low-potential anodic oxidation of fluorene derivatives, which contain either the electron-withdrawing carboxyl group (-COOH) or the el…

Advanced Sensor and Energy Harvesting MaterialsConducting polymers and applicationsAnalytical Chemistry and Sensors