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Molecular simulation of model liquid crystals in a strong aligning field

Enrique de Miguel、Felipe J. Blas、Elvira Martı́n del Rı́o2006-09-15Molecular Physics

We report a computer simulation study of systems of perfectly aligned molecules interacting through the Gay–Berne (GB) potential model for two different values of the molecular anisotropy parameter κ, namely 3 and 4.4. The models are appropriate to gauge the effects of strong aligning fields on the thermodynamics and…

Liquid Crystal Research AdvancementsMaterial Dynamics and PropertiesTheoretical and Computational Physics

Luminescence characteristics of sol-gel derived Y3Al5O12:Eu3+ phosphors excited with vacuum ultraviolet

Chung‐Hsin Lu、Wei-Tse Hsu、Bing‐Ming Cheng2006-09-15Journal of Applied Physics

The luminescence characteristics of europium-ion activated Y3Al5O12 (YAG:Eu3+) phosphors prepared via a sol-gel process were investigated in the vacuum ultraviolet (VUV) region using synchrotron radiation. An intense red emission due to D05→F17 transition of Eu3+ ions is produced under excitation at 147nm. The intensi…

Luminescence Properties of Advanced MaterialsRadiation Detection and Scintillator TechnologiesSolid-state spectroscopy and crystallography

Highly polar bonds and the meaning of covalency and ionicity—structure and bonding of alkali metal hydride oligomers

F. Matthias Bickelhaupt、Miquel Solà、Célia Fonseca Guerra2006-09-15Faraday Discussions

The hydrogen-alkali metal bond is simple and archetypal, and thus an ideal model for studying the nature of highly polar element-metal bonds. Thus, we have theoretically explored the alkali metal hydride monomers, HM, and (distorted) cubic tetramers, (HM)4, with M = Li, Na, K, and Rb, using density functional theory (…

Hydrogen Storage and MaterialsAmmonia Synthesis and Nitrogen ReductionInorganic Chemistry and Materials

Simple detection of light polarization by using crossed polarization gratings

Tomoyuki Sasaki、Akira Hatayama、Akira Emoto 等 5 位作者2006-09-15Journal of Applied Physics

A simple procedure to detect light polarization by use of crossed polarization gratings in photo-cross-linkable liquid crystals is presented. Crossed polarization gratings consisting of four anisotropic gratings with different grating vectors were designed according to the theoretical expectation obtained on the basis…

Photonic and Optical DevicesLiquid Crystal Research AdvancementsPhotorefractive and Nonlinear Optics

Discrepancies in the characterization of the glass transition in thin films of hyperbranched polyesters

Anatoli Serghei、Yu. N. Mikhailova、Klaus‐Jochen Eichhorn 等 5 位作者2006-09-15Journal of Polymer Science Part B Polymer Physics

Abstract The dynamic glass transition and the dilatometric glass transition temperature are simultaneously characterized in thin films of hyperbranched aromatic polyesters by broadband dielectric spectroscopy and capacitive scanning dilatometry. A diverging thickness dependence is detected: while the temperature posit…

Polymer crystallization and propertiesMaterial Dynamics and PropertiesPolymer Nanocomposites and Properties

Macrocyclic Scaffold for the Collagen Triple Helix

Jia‐Cherng Horng、Andrew J. Hawk、Qian Zhao 等 6 位作者2006-09-15Organic Letters

[structure: see text] Three strands of natural collagen are linked by covalent bonds prior to their folding into a triple helix. We report on a synthetic collagen in which the strands are pendent on a rigid macrocyclic scaffold of C(3) symmetry. The scaffold confers substantial conformational stability upon the collag…

Proteoglycans and glycosaminoglycans researchSilk-based biomaterials and applicationsCollagen: Extraction and Characterization

Cadmium(II) and Zinc(II) Complexes ofS-Confused Thiaporphyrin

Michał J. Chmielewski、Miłosz Pawlicki、Natasza Sprutta 等 5 位作者2006-09-15Inorganic Chemistry

The synthesis of 5,10,15,20-tetraphenyl-2-thia-21-carbaporphyrin [S-confused thiaporphyrin, (SCPH)H] was optimized. The formation of the phlorin was detected, which was saturated at the meso carbon adjacent to thiophene. Phlorin converted readily to (SCPH)H in the final oxidation process. Insertion of cadmium(II) and…

Photosynthetic Processes and MechanismsMolecular Sensors and Ion DetectionPorphyrin and Phthalocyanine Chemistry

Polarization-dependent optical characterization of poly(phenylquinoxaline) thin films

Viachaslau Ksianzou、Rama Velagapudi、Bernd Grimm 等 4 位作者2006-09-15Journal of Applied Physics

Linear optical properties of two types of poly(phenylquinoxaline) (PPQ) are studied by multiwavelength prism coupling technique and optical absorption spectroscopy. Surface roughness measurements are done using atomic force microscopy. PPQs form smooth films of high optical quality having refractive indices above 1.7…

Organic Electronics and PhotovoltaicsMolecular Junctions and NanostructuresSynthesis and properties of polymers

Hydroxy‐Substituted Oligosilane Dendrimers: Controlling the Electronic Properties through Hydrogen Bonding

U. Jäger-Fiedler、Martin Köckerling、Ralf Ludwig 等 5 位作者2006-09-15Angewandte Chemie International Edition

Reminiscent of a snowflake: The dimer of a hydroxy-substituted oligosilane dendrimer (see picture, left; Si yellow, C green, H white, O red) is remarkably stable according to IR spectroscopy and DFT calculations. Strong intermolecular hydrogen bonds are not only the glue that holds the “silicon snowflake” together, bu…

Synthesis and characterization of novel inorganic/organometallic compoundsOrganoboron and organosilicon chemistrySilicone and Siloxane Chemistry

Fabrication of Large‐Scale Patterned Gold‐Nanopillar Arrays on a Silicon Substrate Using Imprinted Porous Alumina Templates

Bernhard Wolfrum、Yulia Mourzina、Dirk Mayer 等 5 位作者2006-09-15Small

Gold-nanopillar arrays are patterned at predefined positions on a silicon substrate (see figure; scale bar=600 nm). The technique is based on the electrodeposition of gold into nanoporous alumina templates. Prior to anodization the thin aluminum film is indented via an imprinting procedure to define the spots for nano…

Nanofabrication and Lithography TechniquesAnodic Oxide Films and NanostructuresNanoporous metals and alloys

Optical, structural, and electrical properties of Mg2NiH4 thin films in situ grown by activated reactive evaporation

R.J. Westerwaal、M. Slaman、Chase P. Broedersz 等 12 位作者2006-09-15Journal of Applied Physics

Mg 2 Ni H 4 thin films have been prepared by activated reactive evaporation in a molecular beam epitaxy system equipped with an atomic hydrogen source. The optical reflection spectra and the resistivity of the films are measured in situ during deposition. In situ grown Mg2NiH4 appears to be stable in vacuum due to the…

Catalytic Processes in Materials ScienceHydrogen Storage and MaterialsAmmonia Synthesis and Nitrogen Reduction

Wetting Behavior of Porous Silicon Surfaces Functionalized with a Fulleropyrrolidine

Davide Dattilo、Lidia Armelao、Michele Maggini 等 5 位作者2006-09-15Langmuir

We report the immobilization of a fulleropyrrolidine, bearing a dec-9-ynyl functionality, on silicon surfaces through a thermal hydrosilylation protocol. Contact angle measurements on porous silicon (PS) surfaces reveal an unusual dependence of the angle with the PS roughness that apparently contradicts Wenzel's formu…

Carbon Nanotubes in CompositesGraphene research and applicationsSilicon Nanostructures and Photoluminescence

The Solution Structure of Stilbenoid Dendrimers: A Small‐Angle Scattering Study

Sabine Rosenfeldt、Elena Karpuk、Matthias Lehmann 等 7 位作者2006-09-15ChemPhysChem

The spatial structure of a stilbenoid dendrimer is investigated by small-angle X-ray scattering (SAXS) and small-angle neutron scattering (SANS) in dilute solution. All measurements are performed in toluene. The dendrimer consists of a stilbenoid scaffold with appended hexyloxy chains. SAXS is mainly sensitive to the…

Advanced Polymer Synthesis and CharacterizationLuminescence and Fluorescent MaterialsDendrimers and Hyperbranched Polymers

Incorporation of Metal Nanoparticles into a Double Gyroid Network Texture

Masayuki Adachi、Arimichi Okumura、Easan Sivaniah 等 4 位作者2006-09-15Macromolecules

Palladium nanoparticles have been successfully incorporated into a porous diblock copolymer template using a novel technique. An ordered bicontinuous double gyroid phase was created from poly(isoprene)- block -poly(2-vinylpyridine). The poly(isoprene) matrix of this structure was subsequently removed by ozonolysis, cr…

Advanced Polymer Synthesis and CharacterizationMesoporous Materials and CatalysisBlock Copolymer Self-Assembly

Temperature-controlled martensitic phase transformations in a model NiAl alloy

N. Lazarev、C. Abromeit、R. Schäublin 等 4 位作者2006-09-15Journal of Applied Physics

Reversible martensitic phase transformations in a partially disordered Ni–Al alloy within the composition range from 60to65at.% of Ni are investigated using molecular dynamics simulation. During a complete temperature cycle a wide hysteresis in enthalpy, volume, and shape of the simulated crystals is observed. The tem…

Microstructure and mechanical propertiesShape Memory Alloy TransformationsIntermetallics and Advanced Alloy Properties

Correlation length and negative phase velocity in isotropic dielectric-magnetic materials

Tom G Mackay、Akhlesh Lakhtakia2006-09-15Journal of Applied Physics

A composite material comprising randomly distributed spherical particles of two different isotropic dielectric-magnetic materials is homogenized using the second-order strong-property-fluctuation theory in the long-wavelength approximation. Whereas neither of the two constituent materials by itself supports plane wave…

Metamaterials and Metasurfaces ApplicationsElectromagnetic Scattering and AnalysisAcoustic Wave Phenomena Research

Analysis on dielectric response of polar nanoregions in paraelectric phase of relaxor ferroelectrics

Xiaoyong Wei、Xi Yao2006-09-15Journal of Applied Physics

Ferroelectric phase shifter is preferred to be used in paraelectric phase due to the demand of low loss. Dielectric response of polar nanoregions was analyzed in the present study, including their characteristics and contributions both to dielectric polarization and tunability. The corresponding dielectric constant of…

Ferroelectric and Piezoelectric MaterialsAcoustic Wave Resonator TechnologiesDielectric materials and actuators

Alumina Foam Coated with Nanostructured Chromia Aerogel: Efficient Catalytic Material for Complete Combustion of Chlorinated VOC

Miron V. Landau、Gennady E. Shter、L. Titelman 等 7 位作者2006-09-15Industrial & Engineering Chemistry Research

Commercial volatile organic compound (VOC) combustion catalysts, including V−W−Ti−O, Mn−Al−O, and Mn−W−Al−O, that operate well below 600 K produce only dehydrochlorination of 2-chloropropane to HCl and propylene. Catalytic materials based on chromia aerogel, prepared in this study, yielded complete combustion with abo…

Catalytic Processes in Materials ScienceCatalysis and Oxidation ReactionsAerogels and thermal insulation

Iodization of rf sputter induced disordered Ag thin films reveals volume plasmon-exciton “transition”

Devendra Mohan、C.S. Sunandana2006-09-15Journal of Applied Physics

Quasiamorphous Ag films of thicknesses ranging from 5to30nm were prepared using rf magnetron sputtering technique and their controlled iodization was carried out for selected durations in the range of 15min–60h at room temperature. As deposited Ag and iodized films were characterized using x-ray diffraction (XRD), ato…

Quantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin FilmsCopper-based nanomaterials and applications

Crystal and magnetic structure investigation ofTbNi5−xCux(x=0,0.5,1.0,1.5,2.0): Experiment and theory

Raquel Lizárraga、Alexander Bergman、Torbjörn Björkman 等 10 位作者2006-09-15Physical Review B

The effect of Cu substitution on the structural and magnetic properties of $\mathrm{Tb}{\mathrm{Ni}}_{5\ensuremath{-}x}{\mathrm{Cu}}_{x}$ $(x=0,0.5,1.0,1.5,2.0)$ have been investigated by x-ray diffraction, magnetization measurements and neutron powder and single crystal diffraction. The electronic and the magnetic st…

Magnetic and transport properties of perovskites and related materialsRare-earth and actinide compoundsMagnetic Properties of Alloys