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Geometric and electronic structure of carbon nanotube networks: ‘super’-carbon nanotubes

V. R. Coluci、Douglas S. Galvão、Ado Jório2006-01-06Nanotechnology

Structures of the so-called super-carbon nanotubes are proposed. These structures are built from single walled carbon nanotubes connected by Y-like junctions forming a 'super'-sheet that is then rolled into a seamless cylinder. Such a procedure can be repeated several times, generating a fractal structure. This proced…

Carbon Nanotubes in CompositesGraphene research and applicationsBoron and Carbon Nanomaterials Research

Mechanochemical synthesis of nanocrystalline SnO2–ZnO photocatalysts

Aaron Dodd、Allan J. McKinley、Martin Saunders 等 4 位作者2006-01-06Nanotechnology

Mechanochemical processing of anhydrous chloride precursors with Na 2 CO 3 has been investigated as a means of manufacturing nanocrystalline SnO 2 doped ZnO photocatalysts. High-energy milling and heat-treatment of a 0.1SnCl 2 +0.9ZnCl 2 +Na 2 CO 3 +4NaCl reactant mixture was found to result in the formation of a comp…

Advanced Photocatalysis TechniquesZnO doping and propertiesGas Sensing Nanomaterials and Sensors

Magnetic tunnel junctions using B2-ordered Co2MnAl Heusler alloy epitaxial electrode

Yuya Sakuraba、J. Nakata、Mikihiko Oogane 等 8 位作者2006-01-06Applied Physics Letters

Magnetic tunnel junctions were fabricated with epitaxially grown Co2MnAl bottom electrodes combined with an Al–O tunnel barrier using a magnetron sputtering system. The epitaxial Co2MnAl electrode had very low surface roughness of 0.2nm and a highly ordered B2 structure. Magnetic tunnel junctions (MTJs) with a stackin…

2D Materials and ApplicationsMXene and MAX Phase MaterialsHeusler alloys: electronic and magnetic properties

Screened exchange hybrid density-functional study of the work function of pristine and doped single-walled carbon nanotubes

Verónica Barone、Juan E. Peralta、Jamal Uddin 等 4 位作者2006-01-06The Journal of Chemical Physics

We present a detailed study of the work function of pristine and doped single-walled carbon nanotubes (SWCNTs) using a novel screened exchange hybrid density functional. We find that SWCNTs with diameters larger than 0.9 nm tend asymptotically and smoothly to the graphene limit of 4.6 eV. On the other hand, the work f…

Carbon Nanotubes in CompositesGraphene research and applicationsBoron and Carbon Nanomaterials Research

Synthesis of Variable-Aspect-Ratio, Single-Crystalline ZnO Nanostructures

Bin Cheng、Shi、Joette M. Russell‐Tanner 等 5 位作者2006-01-06Inorganic Chemistry

Variable-aspect-ratio (length/diameter), one-dimensional (1-D) ZnO nanostructures (nanorods and nanowires) were prepared in alcohol/water solution by reacting a Zn2+ precursor with an organic weak base, tetramethylammonium hydroxide (Me4NOH). The effect of the experimental parameters (temperature, base concentration,…

ZnO doping and propertiesGas Sensing Nanomaterials and SensorsGa2O3 and related materials

The rutile TiO2 (110) surface: Obtaining converged structural properties from first-principles calculations

K. J. Hameeuw、Giovanni Cantele、D. Ninno 等 5 位作者2006-01-06The Journal of Chemical Physics

We investigate the effects of constraining the motion of atoms in finite slabs used to simulate the rutile TiO2 (110) surface in first-principles calculations. We show that an appropriate choice of fixing atoms in a slab eliminates spurious effects due to the finite size of the slabs, leading to a considerable improve…

Advanced Chemical Physics StudiesElectronic and Structural Properties of OxidesChemical and Physical Properties of Materials

Optical properties of chitin: surface-enhanced Raman scattering substrates based on antireflection structures on cicada wings

Paul R. Stoddart、Peter J. Cadusch、Todd M. Boyce 等 5 位作者2006-01-06Nanotechnology

The transparent wings of some cicada species present ordered arrays of papillary structures with a spacing of approximately 200 nm. These structures serve an antireflection function, with optical transmission peaking at a value of approximately 98% and rising above 90% over a broad band from 450 to 2500 nm. The dimens…

Gold and Silver Nanoparticles Synthesis and ApplicationsPhotonic Crystals and ApplicationsSilk-based biomaterials and applications

Preparation and Third-Order Optical Nonlinearity of Self-Assembled Chitosan/CdSe−ZnS Core−Shell Quantum Dots Multilayer Films

Xiaohui Wang、Yumin Du、Sha Ding 等 8 位作者2006-01-06The Journal of Physical Chemistry B

The self-assembled chitosan CdSe quantum dots (QDs) and chitosan CdSe-ZnS core-shell QDs films have been prepared by using layer-by-layer electrostatic technique. The well-ordered nanostructure and the layer-by-layer deposition of the QDs are revealed by AFM and exciton absorption spectra, respectively. The optical no…

Quantum Dots Synthesis And PropertiesNonlinear Optical Materials StudiesNear-Field Optical Microscopy

Accurate magnetic exchange couplings in transition-metal complexes from constrained density-functional theory

Indranil Rudra、Qin Wu、Troy Van Voorhis2006-01-06The Journal of Chemical Physics

We demonstrate an accurate method for extracting Heisenberg exchange-coupling constants (J) from density-functional theory (DFT) calculations. We note that the true uncoupled low-spin state of a given molecule should be identified with the ground state of the system subject to a constraint on the spin density of the a…

Advanced Chemical Physics StudiesMagnetism in coordination complexesLanthanide and Transition Metal Complexes

A sandwich tubular scaffold derived from chitosan for blood vessel tissue engineering

Ling Zhang、Qiang Ao、Aijun Wang 等 8 位作者2006-01-06Journal of Biomedical Materials Research Part A

Many materials have been investigated in blood vessel tissue engineering, such as PGA, PLGA, P4HB. However, chitosan is not mentioned in the arena. This study aimed to develop a chitosan-based tubular scaffold and examine its feasibility of being applied in this field. Briefly, a knitted chitosan tube was dipped into…

Electrospun Nanofibers in Biomedical ApplicationsPeriodontal Regeneration and TreatmentsTissue Engineering and Regenerative Medicine

Statistical characterization of single-wall carbon nanotube length distribution

Shiren Wang、Zhiyong Liang、Ben Wang 等 4 位作者2006-01-06Nanotechnology

This paper describes an effective method for quantifying the length and length distribution of large populations of single-wall carbon nanotubes using atomic force microscopy and SIMAGIS software. The results of the measurements were modelled with the Weibull distribution, resulting in a statistically confirmed fit. T…

Carbon Nanotubes in CompositesGraphene research and applicationsNanotechnology research and applications

Catalyst−Nanostructure Interaction in the Growth of 1-D ZnO Nanostructures

C. Borchers、Sven Müller、D. Stichtenoth 等 5 位作者2006-01-06The Journal of Physical Chemistry B

Vapor-liquid-solid is a well-established process in catalyst guided growth of 1-D nanostructures, i.e., nanobelts and nanowires. The catalyst particle is generally believed to be in the liquid state during growth, and is the site for impinging molecules. The crystalline structure of the catalyst may not have any influ…

ZnO doping and propertiesGas Sensing Nanomaterials and SensorsNanowire Synthesis and Applications

Nonequilibrium and Nonlinear Dynamics in Geomaterials I : The Low Strain Regime

Donatella Pasqualini、Katrin Heitmann、James A. TenCate 等 6 位作者2006-01-06arXiv

Members of a wide class of geomaterials are known to display complex and fascinating nonlinear and nonequilibrium dynamical behaviors over a wide range of bulk strains, down to surprisingly low values, e.g., 10^{-7}. In this paper we investigate two sandstones, Berea and Fontainebleau, and characterize their behavior…

Materials Science

Gold-coated iron nanoparticles: a novel magnetic resonance agent forT1andT2weighted imaging

Sung‐Jin Cho、Benjamin R. Jarrett、Angelique Y. Louie 等 4 位作者2006-01-06Nanotechnology

Core/shell structured iron(Fe)/gold(Au) nanoparticles have been prepared by a reverse micelle method, and their potential application as magnetic resonance (MR) contrast agent investigated. The average nanoparticle size is 19 nm, as determined by x-ray powder diffraction (XRD) and transmission electron microscopy (TEM…

Nanoparticle-Based Drug DeliveryIron oxide chemistry and applicationsCharacterization and Applications of Magnetic Nanoparticles

Acoustic Backward-Wave Negative Refractions in the Second Band of a Sonic Crystal

Liang Feng、Xiaoping Liu、Ming‐Hui Lu 等 10 位作者2006-01-06Physical Review Letters

Acoustic negative refractions with backward-wave (BW) effects were both theoretically and experimentally established in the second band of a two-dimensional (2D) triangular sonic crystal (SC). Intense Bragg scatterings result in the extreme deformation of the second band equifrequency surface (EFS) into two classes: o…

Metamaterials and Metasurfaces ApplicationsPhotonic Crystals and ApplicationsAcoustic Wave Phenomena Research

On the free energy within the mean-field approximation

R. Agra、F. van Wijland、E. Trizac2006-01-06arXiv

We compare two widespread formulations of the mean-field approximation, based on minimizing an appropriately built mean-field free energy. We use the example of the antiferromagnetic Ising model to show that one of these formulations does not guarantee the existence of an underlying variational principle. This results…

Materials Sciencecond-mat.stat-mech

On the theory underlying the Car-Parrinello method and the role of the fictitious mass parameter

Paul Tangney2006-01-06arXiv

The theory underlying the Car-Parrinello extended-lagrangian approach to {\em ab initio} molecular dynamics (CPMD) is reviewed and reexamined using 'heavy' ice as a test system. It is emphasized that the adiabatic decoupling in CPMD is not a decoupling of electronic orbitals from the ions but only a decoupling of a su…

Materials Sciencecond-mat.stat-mech

Optical properties of boron-doped diamond

Dan Wu、Yaswanth Sai C、Z. L. Wang 等 9 位作者2006-01-06Physical Review B

We report optical reflectivity study on pure and boron-doped diamond films grown by a hot-filament chemical vapor deposition method. The study reveals the formation of an impurity band close to the top of the valence band upon boron doping. A schematic picture for the evolution of the electronic structure with boron d…

High-pressure geophysics and materialsDiamond and Carbon-based Materials ResearchElectronic and Structural Properties of Oxides

Magnetoelectric coupling in ε-Fe2O3 nanoparticles

Martí Gich、Carlos Frontera、Anna Roig 等 8 位作者2006-01-06Nanotechnology

Nanoparticles of the ferrimagnetic ε-Fe 2 O 3 oxide have been synthesized by the sol–gel method. Here we report on the measurement of the dielectric permittivity as a function of temperature, frequency and magnetic field. It is found that, coinciding with the transition from collinear ferrimagnetic ordering to an inco…

Geophysical and Geoelectrical MethodsMultiferroics and related materialsIron oxide chemistry and applications

Coated nonmagnetic spheres with a negative index of refraction at infrared frequencies

Mark S. Wheeler、J. Stewart Aitchison、Mohammad Mojahedi2006-01-06Physical Review B

A three-dimensional lattice of micron-scale coated spheres is shown to have an isotropic negative index of refraction at infrared frequencies. The materials used are entirely non-magnetic. The Mie scattering theory of the constituent spheres is used in the effective medium theory. The physical mechanisms and procedure…

Metamaterials and Metasurfaces ApplicationsPhotonic Crystals and ApplicationsAdvanced Antenna and Metasurface Technologies