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Possible ground-state structure of Au26: A highly symmetric tubelike cage

Wei Fa、Jinming Dong2006-03-17The Journal of Chemical Physics

The stable tubelike Au(N) (N=26-28) has been found using the scalar relativistic all-electron density functional theory calculations, which becomes another powerful candidate for the lowest-energy Au(N), competing in energy with those space-filled structures suggested previously. Unlike the icosahedral "golden" fuller…

Advanced Chemical Physics StudiesGraphene research and applicationsNanocluster Synthesis and Applications

In-Situ Encapsulation of Quantum Dots into Polymer Microspheres

Wenchao Sheng、Sungjee Kim、Jin‐Wook Lee 等 6 位作者2006-03-17Langmuir

We have incorporated fluorescent quantum dots (QDs) into polystyrene microspheres using functionalized oligomeric phosphine (OP) ligands. We find that a uniform distribution of quantum dots is loaded inside each polymer bead. Some local close-packing of quantum dots in the beads is attributed to the self-polymerizatio…

Advanced biosensing and bioanalysis techniquesQuantum Dots Synthesis And PropertiesCarbon and Quantum Dots Applications

Single-Site Homogeneous and Heterogeneized Gold(III) Hydrogenation Catalysts: Mechanistic Implications

Aleix Comas‐Vives、Camino González‐Arellano、Avelino Corma 等 6 位作者2006-03-17Journal of the American Chemical Society

Au(III)-Schiff base complexes are active hydrogenation catalysts, giving turnover frequencies similar to those of the corresponding complexes of Pd(II), which has the same d8 electronic structure as Au(III). The mechanism of the reaction has been studied in detail by a combination of kinetic experiments and theoretica…

Catalytic Processes in Materials ScienceAsymmetric Hydrogenation and CatalysisNanomaterials for catalytic reactions

Highly Luminescent Gels and Mesogens Based on Elaborated Borondipyrromethenes

Franck Camerel、Laure Bonardi、Marc Schmutz 等 4 位作者2006-03-17Journal of the American Chemical Society

Supramolecular gels and liquid-crystalline materials containing borondipyrromethene (F-Bodipy) are a new class of highly luminescent materials built by attachment of long-chain alkoxydiacylamido scaffoldings to boradiazaindacene templates. Robust gels were formed in nonane, and luminescence spectroscopy was used to pr…

Luminescence and Fluorescent MaterialsSupramolecular Self-Assembly in MaterialsPolydiacetylene-based materials and applications

Description of charge transport in polyethylene using a fluid model with a constant mobility: fitting model and experiments

Séverine Le Roy、G. Teyssèdre、C. Laurent 等 5 位作者2006-03-17Journal of Physics D Applied Physics

A numerical model for describing bipolar charge transport and storage in polyethylene has been developed recently. The present paper proposes a comparison of the model outputs with experimental data in three different direct current (DC) voltage application protocols (step field increase and polarization/depolarizatio…

High voltage insulation and dielectric phenomenaPower Transformer Diagnostics and InsulationElectrostatic Discharge in Electronics

Magnetic Carbon Nanotubes: Synthesis by Electrostatic Self-Assembly Approach and Application in Biomanipulations

Chao Gao、Wenwen Li、Hisao Morimoto 等 5 位作者2006-03-17The Journal of Physical Chemistry B

Magnetic multiwalled carbon nanotubes (MWNTs) were facilely prepared by the electrostatic self-assembly approach. Poly(2-diethylaminoethyl methacrylate) (PDEAEMA) was covalently grafted onto the surfaces of MWNTs by MWNT-initiated in situ atom transfer radical polymerization (ATRP) of 2-diethylaminoethyl methacrylate…

Carbon Nanotubes in CompositesForce Microscopy Techniques and ApplicationsMicro and Nano Robotics

Gyrotropic impact upon negatively refracting surfaces

Allan D. Boardman、Neil King、Yuriy Rapoport 等 4 位作者2006-03-17arXiv

Surface wave propagation at the interface between different types of gyrotropic materials and an isotropic negatively refracting medium, in which the relative permittivity and relative permeability are, simultaneously, negative is investigated. A general approach is taken that embraces both gyroelectric and gyromagnet…

Materials ScienceSoft Condensed Matter

Bound states in two-dimensional shielded potentials

I. Nagy、M. J. Puska、N. Zabala2006-03-17arXiv

We study numerically the existence and character of bound states for positive and negative point charges shielded by the response of a two-dimensional homogeneous electron gas. The problem is related to many physical situations and has recently arisen in experiments for impurities on metal surfaces with Schockley surf…

Materials Science

High Curie temperatures in (Ga,Mn)N from Mn clustering

Teemu Hynninen、Hannes Raebiger、J. von Boehm 等 4 位作者2006-03-17Applied Physics Letters

The effect of microscopic Mn cluster distribution on the Curie temperature (TC) of (Ga,Mn)N is studied using density-functional calculations together with the mean field approximation. We find that the calculated TC depends crucially on the microscopic cluster distribution, which can explain the abnormally large varia…

ZnO doping and propertiesBoron and Carbon Nanomaterials ResearchThermal Expansion and Ionic Conductivity

A Universal Approach for the Self‐Assembly of Hydrophilic Nanoparticles into Ordered Monolayer Films at a Toluene/Water Interface

Yongjun Li、Wei‐Jun Huang、Shi‐Gang Sun2006-03-17Angewandte Chemie International Edition

Making films: Removal of most of the toluene from a two-phase toluene/water mixture causes nanoparticles present at the liquid–liquid interface to pack closely together in an ordered monolayer film (MLF). This MLF can be removed from the interface for further study.

Gold and Silver Nanoparticles Synthesis and ApplicationsSurfactants and Colloidal SystemsPickering emulsions and particle stabilization

Ionic Polarizability of Conductive Metal Oxides and Critical Thickness for Ferroelectricity in BaTiO 3

G. Gerra、A. K. Tagantsev、N. Setter 等 4 位作者2006-03-17Physical Review Letters

We report a first-principles investigation of ultrathin BaTiO(3) films with SrRuO(3) electrodes. We find that the ionic relaxations in the metal-oxide electrode play a crucial role in stabilizing the ferroelectric phase. Comparison with frozen-phonon calculations shows that the degree of softness of the SrRuO(3) latti…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsElectronic and Structural Properties of Oxides

Ferromagnetic manganites: spin-polarized conduction versus competing interactions

Kathrin Dörr2006-03-17Journal of Physics D Applied Physics

Manganese oxides ( R , A )MnO 3 ( R = La, Y, Bi or rare earth metal, A = non-trivalent doping element) have been one focus of research for two outstanding properties: (i) conduction electrons (if any) are highly spin-polarized and (ii) competing interactions of several electronic and lattice degrees of freedom lead to…

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

Subwavelength imaging at optical frequencies using a transmission device formed by a periodic layered metal-dielectric structure operating in the canalization regime

Pavel A. Belov、Yang Hao2006-03-17arXiv

Imaging with subwavelength resolution using a periodic metal-dielectric layered structure is demonstrated. The structure operates in canalization regime as a transmission device and it does not involve negative refraction and amplification of evanescent modes. The thickness of the structure has to be an integer number…

Metamaterials and Metasurfaces ApplicationsPhotonic Crystals and ApplicationsAdvanced Antenna and Metasurface Technologies

Effect of stress annealing on Galfenol and Alfenol magnetostrictive alloys

A. E. Clark、J. B. Restorff、M. Wun‐Fogle 等 4 位作者2006-03-16Proceedings of SPIE, the International Society for Optical Engineering/Proceedings of SPIE

Galfenol (Fe100-xGax, x = 6, 12.5, 17, 18.4, 19, 22) and Alfenol (Fe81Al19) alloy rods (~50 mm x 6 mm dia.) were annealed under compressive stresses up to 219 MPa at temperatures from 100°C to 700°C for 10 to 100 minutes. Because of the magnetostriction of the alloys, these heat treatments build in a uniaxial magnetic…

Electric Motor Design and AnalysisMicrostructure and Mechanical Properties of SteelsMagnetic Properties and Applications

Carbon nanotube array smart materials

Yeoheung Yun、Adam Bange、Vesselin Shanov 等 12 位作者2006-03-16Proceedings of SPIE, the International Society for Optical Engineering/Proceedings of SPIE

Highly aligned multi-wall carbon nanotube arrays up to 4 mm tall were synthesized on Si wafers using a chemical vapor deposition process with water delivery. Based on the long nanotube arrays, several prototype smart materials were developed including a biosensor, electrochemical actuator, and nanotube probes. The bio…

Carbon Nanotubes in CompositesNeuroscience and Neural EngineeringNanotechnology research and applications

High integrity adaptive SMA components for gas turbine applications

John R. P. Webster2006-03-16Proceedings of SPIE, the International Society for Optical Engineering/Proceedings of SPIE

The use of Shape Memory Alloys (SMAs) is growing rapidly. They have been under serious development for aerospace applications for over 15 years, but are still restricted to niche areas and small scale applications. Very few applications have found their way into service. Whilst they have been predominantly aimed at ai…

Shape Memory Alloy TransformationsTopology Optimization in EngineeringLaser and Thermal Forming Techniques

Morphology and Surface Structure of Silver Carboxylates

E. Aret、V.A. Volotchaev、S.A.C Verhaegen 等 7 位作者2006-03-16Crystal Growth & Design

The crystal morphology of silver laurate, silver stearate, and silver behenate is studied. The crystal structures form a homologous series for AgOOC n H 2 n - 1 (for n = even). These crystals are morphologically only isomorphous when grown at low supersaturation. The morphological importance of the top facets depends…

Machine Learning in Materials ScienceNanocluster Synthesis and Applicationsnanoparticles nucleation surface interactions

Ten‐Coordinate Neodymium( III ) Complexes with Triethylenetetraaminehexaacetic Acid

Anna Mondry、Przemysław Starynowicz2006-03-16European Journal of Inorganic Chemistry

Abstract The crystal structures and spectroscopic (IR, Raman, UV/Vis) data for the complexes [C(NH 2 ) 3 ] 2 [Nd(HTTHA)] · 3H 2 O ( I ) and [C(NH 2 ) 3 ] 3 [Nd(TTHA)] · 6H 2 O ( II ) are presented. Crystals of I are triclinic, P $\bar {1}$ , a = 9.998(2), b = 10.730(2), c = 15.557(3) Å, α = 106.89(3)°, β = 90.27(3)°,…

Magnetism in coordination complexesRadioactive element chemistry and processingLanthanide and Transition Metal Complexes

Static and Dynamic Mechanical Properties of Vinylester Resin Matrix Composites Reinforced with Shellac-Treated Jute Yarns

Dipa Ray、Surajit Sengupta、A. K. Rana 等 4 位作者2006-03-16Industrial & Engineering Chemistry Research

Natural fiber-reinforced composites are currently used for various types of applications. However, to improve the fiber/resin bonding at the interface, some suitable chemical modification of the fibers is required. In the present study, an attempt has been made to use an inexpensive, easily available, and water-solubl…

Natural Fiber Reinforced CompositesTextile materials and evaluationsTribology and Wear Analysis

Hexagonal and Prismatic Nanowalled ZnO Microboxes

Fenghua Zhao、Wenjiao Lin、Mingmei Wu 等 7 位作者2006-03-16Inorganic Chemistry

We hereby report hydrothermal syntheses of new microstructures of semiconducting ZnO. Single-crystalline prismatic ZnO microboxes formed by nanowalls and hexagonal hollow microdisks closed by plates with micron-sized inorganic fullerene-like structures have been made in a base-free medium through a one-step hydrotherm…

ZnO doping and propertiesGas Sensing Nanomaterials and Sensorsnanoparticles nucleation surface interactions