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First-principles structural stability in the strontium–titanium–oxygen system

O. Le Bacq、Esteban López Salinas、A. Pisch 等 5 位作者2006-05-03The Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics

First principles calculations have been made to theoretically interpret the structural stability of SrTiO3 as a function of pressure or strain. We show that the orthorhombic Pbnm structure is more stable than the ideal perovskite one due to rotations of TiO6 octahedrons at high pressures or deformations of TiO6 octahe…

Magnetic and transport properties of perovskites and related materialsAdvanced Condensed Matter PhysicsElectronic and Structural Properties of Oxides

Second-Generation Electron-Poor Platinum(II) Complexes as Efficient Epoxidation Catalysts for Terminal Alkenes with Hydrogen Peroxide

Erika Pizzo、Paolo Sgarbossa、Alessandro Scarso 等 5 位作者2006-05-03Organometallics

The preparation and characterization of second-generation electron-poor Pt(II) complexes of general formula [(P−P)Pt(C 6 F 5 )(H 2 O)][X], 1a − h (P−P = diphosphine, X = BF 4, OTf), bearing a pentafluorophenyl ligand is reported. The complexes are investigated as catalysts in the epoxidation of alkenes with hydrogen p…

Polyoxometalates: Synthesis and ApplicationsMetal-Catalyzed Oxygenation MechanismsOxidative Organic Chemistry Reactions

Orientational order and dynamics of the dendritic liquid crystal organo-siloxane tetrapodes determined using dielectric spectroscopy

Katarzyna Merkel、A. Kocot、J. K. Vij 等 5 位作者2006-05-03Physical Review E

The dielectric measurements have been carried out on the two zeroth generation dendrimers with four branched arms (called tetrapodes) based on the siloxane cores. The results are analyzed in the framework of the molecular theory of dielectric permittivity by Maier and Meier for nematogens. At least four molecular proc…

Liquid Crystal Research AdvancementsDendrimers and Hyperbranched PolymersSynthesis and properties of polymers

Interfaces in {100} epitaxial heterostructures of perovskite oxides

Jean‐Luc Maurice、D. Imhoff、J. P. Contour 等 4 位作者2006-05-03The Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics

The exact perovskite structure has simple cubic symmetry and composition ABO3, where A is a relatively large cation and B a smaller one. The choices of A and B cations, and the substitutions possible on either site, generate a large variety of materials sharing the same base, with relatively small distortions of the s…

Magnetic and transport properties of perovskites and related materialsAdvanced Condensed Matter PhysicsElectronic and Structural Properties of Oxides

Synthesis and Structural Characterization of a Halide‐Free Rhombohedral Silver‐Alkynyl Cage Complex [Ag14(C2tBu)12][BF4]2

Omar M. Abu‐Salah、Mohammed H. Ja’far、A.R. Al-Ohaly 等 7 位作者2006-05-03European Journal of Inorganic Chemistry

Abstract The novel cationic complex [Ag 14 (C 2 t Bu) 12 ] 2+ has been synthesized by four reactions: reaction of [Ag(C 2 t Bu)] n and AgBF 4 in acetone in a 6:1 mole ratio, that of HC≡C t Bu and AgBF 4 in water in the absence of a base, treatment of [AgC 2 t Bu] n with HBF 4 in acetone or that of {[Ag 3 (C 2 t Bu) 2…

Organometallic Complex Synthesis and CatalysisMagnetism in coordination complexesNanocluster Synthesis and Applications

Structural Influence on Raman Scattering of a New C60 Thin Film Prepared by AAO Template with the Method of Pressure Difference

Zhixun Luo、Yan Fang2006-05-03Journal of Combinatorial Chemistry

An anodic aluminum oxide (AAO) template is prepared by anodizing aluminum in oxalic acid solution. C60 crystals were grown, using the pressure difference method, in the pores of the template, representing a brushlike thin film layer with a honeycomb boundary structure in one side and nail arrays in the other side. Dif…

Graphene research and applicationsThermal properties of materialsAnodic Oxide Films and Nanostructures

Hermaphroditic Chirality of a D2‐Symmetric Saddle‐Shaped Porphyrin in Multicomponent Spontaneous Optical Resolution: Inclusion Cocrystals with Double‐Helical Porphyrin Arrays

Yukitami Mizuno、Md. Akhtarul Alam、Akihiko Tsuda 等 6 位作者2006-05-03Angewandte Chemie International Edition

The dynamic dual chirality of D2-symmetric saddle-shaped porphyrin 1 decreases the stereochemical complexity of cocrystallization with racemic mandelic acid derivatives, such as BrMA, and allows spontaneous optical resolution (see picture). Each resulting cocrystal is porous and consists of one-handed double-helical p…

Molecular Sensors and Ion DetectionSupramolecular Chemistry and ComplexesPorphyrin and Phthalocyanine Chemistry

Dynamic optical limiting experiments on vanadium dioxide and vanadium pentoxide thin films irradiated by a laser beam

Weiping Wang、Yongquan Luo、Dayong Zhang 等 4 位作者2006-05-03Applied Optics

Vanadium dioxide (VO2) and vanadium pentoxide (V2O5) thin films are irradiated by a near-infrared continuous-wave laser beam and the dynamic optical limiting performance is measured. The temperature varying with time of the films induced by a laser beam is also recorded by an IR thermal sensor. Under the irradiation o…

Transition Metal Oxide NanomaterialsNonlinear Optical Materials StudiesPhotoacoustic and Ultrasonic Imaging

Distinct spins of substituent Co in polycrystallineZn1−xCoxOoxides

Y. B. Zhang、Thirumany Sritharan、Xi Li2006-05-03Physical Review B

We present structural and magnetic properties of polycrystalline ${\mathrm{Zn}}_{1\ensuremath{-}x}{\mathrm{Co}}_{x}\mathrm{O}\phantom{\rule{0.3em}{0ex}}(x=0,0.02,0.05,0.0625,0.10,\phantom{\rule{0.3em}{0ex}}\mathrm{and}\phantom{\rule{0.3em}{0ex}}0.15)$ oxides synthesized by solid-state reaction via sintering $\mathrm{Z…

ZnO doping and propertiesMagnetic and transport properties of perovskites and related materialsAdvanced Condensed Matter Physics

Solvothermal Synthesis, Crystal Structures, and Properties of New Selenidoantimonates [Ln(en)4(SbSe4)] (Ln = La, Nd) and [Sm(en)4]SbSe4·0.5en: The First Example of an SbSe43– Anion Acting as a Ligand to a Lanthanide Complex

Dingxian Jia、Qianxin Zhao、Yong Zhang 等 5 位作者2006-05-03European Journal of Inorganic Chemistry

Abstract Three new lanthanide selenidoantimonates [Ln(en) 4 (SbSe 4 )] [Ln = La ( 1 ), Nd ( 2 )] and [Sm(en) 4 ]SbSe 4 · 0.5en ( 3 ) (en = ethylenediamine) were first synthesized by treating LnCl 3 , Sb, and Se in a stoichiometric ratio with en under mild solvothermal conditions. Compounds 1 and 2 are isostructural. T…

Crystal Structures and PropertiesIron-based superconductors researchInorganic Chemistry and Materials

Preparation and characterization of novel hybrid of chitosan‐g‐lactic acid and montmorillonite

Dilip Depan、Annamalai Pratheep Kumar、Raj Pal Singh2006-05-03Journal of Biomedical Materials Research Part A

The utilization of biopolymers and the development of organic-inorganic hybrids are ever increasing interest of material science researchers around the globe for various applications. The present attempt is intended to prepare nanocomposites of lactic acid grafted chitosan and layered silicates. Nanocomposites were pr…

Nanocomposite Films for Food PackagingPolymer Nanocomposites and Propertiesbiodegradable polymer synthesis and properties

Mechanical behavior of films of miscible polyamide 6/polyamide 6I‐6T blends

O. Persyn、V. Miri、Jean‐Marc Lefebvre 等 6 位作者2006-05-03Journal of Polymer Science Part B Polymer Physics

Abstract The deformation behavior of miscible PA6/aPA blends films under uniaxial and biaxial tensile drawing has been investigated in relation to blend composition. Whatever be the composition, the initial crystalline structure is ill‐ordered and no evidence of spherulitic morphology was shown. At temperatures beyond…

Mechanical Behavior of CompositesPolymer crystallization and propertiesPolymer Nanocomposites and Properties

Structural correlation between collagen VI microfibrils and collagen VI banded aggregates

Carlo Knupp、Christian Pinali、Peter Munro 等 7 位作者2006-05-03Journal of Structural Biology

Collagen VI is a component of the extracellular matrix that is able to form structural links with cells. Collagen VI monomers cross-link into tetramers that come together to form long molecular chains known as microfibrils. Collagen VI tetramers are also the most likely candidates for the formation of banded aggregate…

Connective tissue disorders researchPeriodontal Regeneration and TreatmentsCollagen: Extraction and Characterization

Phase Structure and Enzymatic Degradation of Poly(l-lactide)/Atactic Poly(3-hydroxybutyrate) Blends: An Atomic Force Microscopy Study

Yoshihiro Kikkawa、Takayuki Suzuki、Takeharu Tsuge 等 6 位作者2006-05-03Biomacromolecules

Phase structures and enzymatic degradation of poly(l-lactide) (PLLA)/atactic poly(3-hydroxybutyrate) (ata-PHB) blends with different compositions were characterized by using atomic force microscopy (AFM). Differential scanning calorimetry (DSC) thermograms of PLLA/ata-PHB blends with different compositions showed two…

biodegradable polymer synthesis and propertiesMicroplastics and Plastic PollutionCarbon dioxide utilization in catalysis

Dynamics of Surfactant-Driven Fracture of Particle Rafts

Dominic Vella、Ho‐Young Kim、Pascale Aussillous 等 4 位作者2006-05-03Physical Review Letters

We investigate the dynamic fracture of a close-packed monolayer of particles, or particle raft, floating at a liquid-gas interface induced by the localized addition of surfactant. Unusually for a two-dimensional solid, our experiments show that the speed of crack propagation here is not affected by the elastic propert…

Proteins in Food SystemsSurfactants and Colloidal SystemsPickering emulsions and particle stabilization

Heisenberg Exchange in Dinuclear Manganese Complexes: A Density Functional Theory Study

Elias Rudberg、Paweł Sałek、Žilvinas Rinkevičius 等 4 位作者2006-05-03Journal of Chemical Theory and Computation

This work presents a systematic investigation of the performance of broken symmetry density functional theory for the evaluation of Heisenberg exchange constants. We study dinuclear Mn(IV)-Mn(IV) complexes with bis(μ-oxo), bis(μ-oxo)(μ-carboxylato), and tris(μ-oxo) cores for this purpose, as these are of fundamental b…

Magnetism in coordination complexesMetal-Catalyzed Oxygenation MechanismsElectron Spin Resonance Studies

Iron-oxygen vacancy defect association in polycrystalline iron-modified Pb Zr O 3 antiferroelectrics: Multifrequency electron paramagnetic resonance and Newman superposition model analysis

Hrvoje Meštrić、Rüdiger‐A. Eichel、Klaus‐Peter Dinse 等 11 位作者2006-05-03Physical Review B

By utilizing multifrequency electron paramagnetic resonance (EPR) spectroscopy, the iron functional center in ${\mathrm{Fe}}^{3+}$-modified polycrystalline lead zirconate $(\mathrm{Pb}\mathrm{Zr}{\mathrm{O}}_{3})$ was studied. The single phase polycrystalline sample remained orthorhombic and antiferroelectric down to…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsSolid-state spectroscopy and crystallography

Hydrogen‐Bond‐Directed Head‐to‐Tail Orientation of Dipolar Merocyanine Dyes: A Strategy for the Design of Electrooptical Materials

Frank Würthner、Johann N. Schmidt、Matthias Stolte 等 4 位作者2006-05-03Angewandte Chemie International Edition

Two merocyanine dyes are assembled by multiple hydrogen bonds with summation of their dipole moments (see formula; R=2-ethylhexyl). It exhibits a strongly increased degree of dye alignment in an electric field according to electrooptical absorption spectroscopy.

Porphyrin and Phthalocyanine ChemistryNonlinear Optical Materials ResearchPhotochromic and Fluorescence Chemistry

Profiles of a high-aspect-ratio grating determined by spectroscopic scatterometry and atomic-force microscopy

Jørgen Garnæs、Poul‐Erik Hansen、Niels Agersnap 等 6 位作者2006-05-03Applied Optics

The new and fast scatterometry method called optical diffraction microscopy is compared with atomic-force microscopy by use of cross-section scanning-electron microscope images as references. The sample is a high-aspect-ratio grating with a period of approximately 1000 nm. To allow the atomic-force microscope to track…

Optical Coatings and GratingsNear-Field Optical MicroscopySurface Roughness and Optical Measurements

A microscopic look at the reinforcement of silica-filled rubbers

Alfonso Botti、Wim Pyckhout‐Hintzen、Dieter Richter 等 5 位作者2006-05-03The Journal of Chemical Physics

The deformed structure of silica-filled elastomers under uniaxial strain has been investigated using a combination of both small angle x-ray scattering and small angle neutron scattering methods. Using an extraction procedure and taking into account the two-phase nature of these polymer-based composites, the single ch…

Polymer Nanocomposites and PropertiesElasticity and Material ModelingComposite Material Mechanics