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Theoretical study of environmental dependence of oxygen vacancy formation in CeO2

Yong Jiang、James B. Adams、Mark van Schilfgaarde 等 5 位作者2005-09-29Applied Physics Letters

Density functional methods were used to study the environmental dependence of O vacancy formation in CeO2. It was found that an O vacancy in the 2+ charged state has the lowest formation energy for a wide range of Fermi energies (EF) from 0 to ∼1.9eV, while a neutral vacancy becomes the most stable at higher EF values…

Catalytic Processes in Materials ScienceAdvancements in Solid Oxide Fuel CellsCatalysis and Oxidation Reactions

Cytotoxic Principles from the Formosan Milkweed, Asclepias curassavica

Michael C. Roy、Fang‐Rong Chang、Hsiao-Chu Huang 等 5 位作者2005-09-29Journal of Natural Products

A series of cardenolides and related compounds have been isolated from the aerial parts and roots of the ornamental milkweed, Asclepias curassavica. Their structures were determined by spectroscopic and chemical methods. Among them, three derivatives of calactinic acid methyl ester (13-15), 19-nor-16 alpha-acetoxy-10…

Phytochemistry and Biological ActivitiesPhytochemical compounds biological activitiesPhytochemistry and Bioactive Compounds

Mechanical and flame‐retarding properties of styrene–butadiene rubber filled with nano‐CaCO3 as a filler and linseed oil as an extender

Satyendra Mishra、Navinchandra G. Shimpi2005-09-29Journal of Applied Polymer Science

Abstract A nanosize CaCO 3 filler was synthesized by an in situ deposition technique, and its size was confirmed by X‐ray diffraction. CaCO 3 was prepared in three different sizes (21, 15, and 9 nm). Styrene–butadiene rubber (SBR) was filled with 2–10 wt % nano‐CaCO 3 with 2% linseed oil as an extender. Nano‐CaCO 3 –S…

Polymer Nanocomposites and PropertiesPolymer composites and self-healingFlame retardant materials and properties

Flame‐retardant effect of polyaniline coating deposited on cellulose fibers

Jaroslav Stejskal、Miroslava Trchová、Irina Sapurina2005-09-29Journal of Applied Polymer Science

Abstract Filtration paper was coated with a thin polyaniline film. The content of conducting polymer was 8.2 and 6.3 wt % for polyaniline hydrochloride and polyaniline base, respectively. After burning, the coated material retains the original fibrilar morphology of cellulose. The polyaniline coating converts to solid…

Conducting polymers and applicationsFlame retardant materials and propertiesSynthesis and properties of polymers

Tautomerization in Naphthalenediimines: A Keto-Enamine Schiff Base Macrocycle

A.J. Gallant、Michael Yun、Marc Sauer 等 5 位作者2005-09-29Organic Letters

[reaction: see text] A new [3 + 3] Schiff base macrocycle incorporating naphthalene groups has been prepared. By examination of its properties, X-ray crystallography of model compounds, and calculations, it has been determined that the macrocycle exists predominantly as the keto-enamine tautomer. This unexpected tauto…

Porphyrin and Phthalocyanine ChemistryPhotochromic and Fluorescence ChemistrySynthesis and Characterization of Heterocyclic Compounds

Conduction in Charged PbSe Nanocrystal Films

Brian L. Wehrenberg、Dong Yu、Jiasen Ma 等 4 位作者2005-09-29The Journal of Physical Chemistry B

Conduction in thin films of PbSe nanocrystals doped by electrochemical gating has been studied. Charging the film, with either electrons or holes, increases the conductance by orders of magnitude. The electrons in the 1S(e) state of nanocrystals in these films have a mobility as high as 5.0 x 10(-3) cm(2) V(-1) s(-1).…

Quantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin FilmsMolecular Junctions and Nanostructures

Oxygen-induced restructuring with release of gold atoms from Au(111)

Byoung Koun Min、Xingyi Deng、Dilini Pinnaduwage 等 5 位作者2005-09-29Physical Review B

Adsorption of oxygen atoms, achieved via electron-induced dissociation of nitrogen dioxide, induces restructuring of the ``herringbone'' to a striped, soliton-wall structure accompanied by release of gold from the ``elbows'' in the herringbone structure. The number density of ``elbows'' (dislocations corresponding to…

Advanced Chemical Physics StudiesCatalytic Processes in Materials ScienceCatalysis and Oxidation Reactions

Chemically Bonded Ceramic Oxide Coatings on Carbon Nanotubes and Inorganic Nanowires

A. Gomathi、S. R. C. Vivekchand、A. Govindaraj 等 4 位作者2005-09-29Advanced Materials

Acid-treated carbon nanotubes are reacted with metal halides and water and are then calcined to produce a chemically bonded oxide layer of controllable thickness on the nanotubes (see figure). Similar coatings are prepared on aluminum oxide and silicon nanowires by the reaction of the metal halides with the surface hy…

Carbon Nanotubes in CompositesGraphene research and applicationsNanowire Synthesis and Applications

Combinatorial Material Mechanics: High‐Throughput Polymer Synthesis and Nanomechanical Screening

C. A. Tweedie、Daniel G. Anderson、Róbert Langer 等 4 位作者2005-09-29Advanced Materials

Combinatorial materials science requires parallel advances in materials characterization. A high-throughput nanoscale synthesis/nanomechanical profiling approach capable of accurately screening the mechanical properties of 1,700 photopolymerizable materials (see Figure, scale bar: 100 μm) within a large, discrete poly…

Metal and Thin Film MechanicsDiamond and Carbon-based Materials ResearchMachine Learning in Materials Science

Effect of ionic content, solid content, degree of neutralization, and chain extension on aqueous polyurethane dispersions prepared by prepolymer method

Ajaya Kumar Nanda、Douglas A. Wicks、Samy A. Madbouly 等 4 位作者2005-09-29Journal of Applied Polymer Science

Abstract There are many variables in the preparation of aqueous polyurethane (PU) dispersions. Carboxylic acid content, solid content, degree of pre/postneutralization of the carboxylic acids, and chain extension all impact dispersion particle size, viscosity, pH, molecular weights, and glass transition temperature. T…

Polymer Nanocomposites and PropertiesPolymer composites and self-healingFlame retardant materials and properties

Changes in the structural properties and rate of hydrolysis of cotton fibers during extended enzymatic hydrolysis

Lushan Wang、Yu‐Zhong Zhang、Peiji Gao 等 6 位作者2005-09-29Biotechnology and Bioengineering

An extended enzymatic hydrolysis of cotton fibers by crude cellulase from Trichoderma pseudokoningii S-38 is described with characterization of both the enzyme changes of activities and cellulose structure. The hydrolysis rates declined drastically during the early stage and then slowly and steadily throughout the who…

Biofuel production and bioconversionAdvanced Cellulose Research Studiesbiodegradable polymer synthesis and properties

Non-collinear Korringa-Kohn-Rostoker Green function method: Application to 3d nanostructures on Ni(001)

S. Lounis、Ph. Mavropoulos、P. H. Dederichs 等 4 位作者2005-09-29arXiv

Magnetic nanostructures on non-magnetic or magnetic substrates have attracted strong attention due to the development of new experimental methods with atomic resolution. Motivated by this progress we have extended the full-potential Korringa-Kohn-Rostoker (KKR) Green function method to treat non-collinear magnetic nan…

Materials Science

Simulation of the liquid pool for VT3-1 titanium alloy during vacuum arc remelting process

E. N. Kondrashov、M. I. Musatov、A. Yu. Maksimov 等 5 位作者2005-09-29arXiv

This article describes a simple heat model of the vacuum arc remelting (VAR) process that includes solution of the nonlinear heat conductivity equation with the nonlinear boundary conditions which are typical for VAR process. The finite-difference analogue of the model equations was obtained through the finite volume…

Materials Science

Monte Carlo Study of the Precipitation Kinetics of Al3zr in Al-Zr

Emmanuel Clouet、Maylise Nastar2005-09-29arXiv

Zr precipitates in Al to form the phase Al3Zr. For a low supersaturation in Zr of the fcc solid solution, it has been observed that during the precipitation first steps the Al3Zr precipitates have the metastable L12 structure and that they transform themselves to the stable DO23 structure for long enough annealing tim…

Materials Science

Chromatography on Self-Assembled Carbon Nanotubes

Chutarat Saridara、Somenath Mitra2005-09-29Analytical Chemistry

Stationary phases that provide high resolutions and are stable at high temperatures are of significant importance in chromatographic analysis. Carbon nanotubes (CNTs) are known to have high thermal and mechanical stability and have the potential to be high-performance separation media that utilize the nanoscale intera…

Carbon Nanotubes in CompositesMicrofluidic and Capillary Electrophoresis ApplicationsNanopore and Nanochannel Transport Studies

Magnetic Nanocrescents as Controllable Surface‐Enhanced Raman Scattering Nanoprobes for Biomolecular Imaging

G. L. Liu、Youming Lu、Jaeyun Kim 等 5 位作者2005-09-29Advanced Materials

Magnetic nanocrescent Raman probes (see Figure) can not only serve as stand-alone surface-enhanced Raman scattering (SERS) substrates with high local electromagnetic-field enhancement factors, but can also be controlled by external magnetic fields to produce translational and rotational motion of the nanoprobes. Their…

Gold and Silver Nanoparticles Synthesis and ApplicationsAdvanced biosensing and bioanalysis techniquesSpectroscopy Techniques in Biomedical and Chemical Research

A Highly Transparent and Luminescent Hybrid Based on the Copolymerization of Surfactant‐Encapsulated Polyoxometalate and Methyl Methacrylate

Haolong Li、Qi Wen、Wen Li 等 6 位作者2005-09-29Advanced Materials

A polyoxometalate-based hybrid is produced by the copolymerization of a terminal-unsaturated surfactant- encapsulated polyoxometalate and methyl methacrylate. This hybrid exhibits flexible processability, high transparency of the polymer, and high fluorescence of the inorganic cluster (see Figure). The method presente…

Metal-Organic Frameworks: Synthesis and ApplicationsPolyoxometalates: Synthesis and ApplicationsChemical Synthesis and Reactions

Synthesis, Characterization, and Spectroscopy of Type‐II Core/Shell Semiconductor Nanocrystals with ZnTe Cores

Rui Xie、Xinhua Zhong、Thomas Basché2005-09-29Advanced Materials

Type-II core/shell quantum dots are characterized by a staggered alignment of conduction and valence bands (see Figure), giving rise to a broad tunability of absorption and emission wavelengths. Colloidal ZnTe/CdE (E = S, Se, Te) core/shell quantum dots have been prepared with emission quantum yields of up to 30 %. Th…

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

Mineral Assemblage and Aggregates Control Carbon Dynamics in a California Conifer Forest

Craig Rasmussen、Margaret Torn、Randal J. Southard2005-09-29Soil Science Society of America Journal

Uncertainty about the effects of climate change on terrestrial soil organic C stocks has generated interest in clarifying the processes that underlie soil C dynamics. We investigated the role of soil mineralogy and aggregate stability as key variables controlling soil C dynamics in a California conifer forest. We char…

Soil Carbon and Nitrogen DynamicsClay minerals and soil interactions

Vortex Lattices in Stripe Domains of Ferromagnet/Superconductor Bilayer

Serkan Erdin2005-09-29arXiv

The continuum theory of domain structures in ferromagnetic/superconducting bilayers fails when the equilibrium domain size becomes comparable with effective penetration depth $Λ$. Instead, a lattice of discrete vortices must be considered. Here, we report our results on the discrete vortex lattices in stripe domain st…

Materials ScienceSuperconductivity