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Hydrogen peroxide adsorption on Fe-filled single-walled carbon nanotubes: a theoretical study

J. Moreno、Koichiro Kasai、Melanie David 等 5 位作者2009-01-20Journal of Physics Condensed Matter

We investigated the adsorption of hydrogen peroxide molecules on Fe-filled single-walled carbon nanotubes (SWNTs) based on density functional theory (DFT) calculations. The adsorption possibilities for the hydrogen peroxide molecule were tested by finding the minimum energy as a function of distance of the molecule fr…

Electrocatalysts for Energy ConversionCarbon Nanotubes in CompositesFuel Cells and Related Materials

Quasiparticle band structure of vanadium dioxide

Rei Sakuma、Takashi Miyake、F. Aryasetiawan2009-01-20Journal of Physics Condensed Matter

Vanadium dioxide is insulating below 340 K in experiments, whereas the band structure calculated in the local density approximation (LDA) is gapless. We study the self-energy effects using the ab initio GW method. We found that the self-energy depends strongly on the energy, and proper treatment of the dynamical effec…

Transition Metal Oxide NanomaterialsAdvanced Condensed Matter PhysicsCatalysis and Oxidation Reactions

Silver Cluster Chromophores for Absorption Enhancement of Peptides

Alexander Kulesza、Roland Mitrić、Vlasta Bonačić‐Koutecký2009-01-20The Journal of Physical Chemistry A

We present a theoretical study of the structural and optical properties of tripeptide-silver cluster hybrid systems which shows that silver clusters induce significant absorption enhancement in the spectral region between 225 and 350 nm with respect to the pure peptide. This allows the use of clusters as chromophores…

Gold and Silver Nanoparticles Synthesis and ApplicationsQuantum Dots Synthesis And PropertiesNanocluster Synthesis and Applications

Conducting polymer actuator based on chemically deposited polypyrrole and polyurethane-based solid polymer electrolyte working in air

Hwa-Jeong Choi、Young-Min Song、Ildoo Chung 等 5 位作者2009-01-20Smart Materials and Structures

Conducting polymers (CPs), such as polypyrrole, polythiophene, and polyaniline, are unique in that they have switchable properties due to their two or more mechanically stable oxidation states.Thus, their films or coatings can be easily switched by the application of a small voltage and current to change their volume…

Advanced Sensor and Energy Harvesting MaterialsConducting polymers and applicationsDielectric materials and actuators

Quantum Optics with Nanocrystal Quantum Dots in Solution: Quantitative Study of Clustering

David Bussian、Anton V. Malko、Han Htoon 等 6 位作者2009-01-20The Journal of Physical Chemistry C

Applying a combination of traditional fluorescence correlation spectroscopy and antibunching measurements to solutions of nanocrystal quantum dots (NQDs), we can reliably establish the regime where only one dot or less is present in the detection volume. Under these conditions, it is possible to probe various photophy…

Quantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin FilmsNanocluster Synthesis and Applications

Free-space excitation of resonant cavities formed from cloaking metamaterial

Edward P. Furlani、Alexander Baev2009-01-20Journal of Modern Optics

We propose a new class of resonant electromagnetic structures, and study their response to free-space illumination. The structures consist of partial cylindrical shells that have the cloaking material properties proposed by Pendry et al. [Science 2006, 312, 1780]. These metamaterial shells have apertures that allow th…

Antenna Design and AnalysisMetamaterials and Metasurfaces ApplicationsAdvanced Antenna and Metasurface Technologies

Synthesis of TiO2nanocrystals controlled by means of the size of magnetic elements and the level of doping with them

Hiroyuki Nakano、Noriyuki Hasuike、Kenji Kisoda 等 6 位作者2009-01-20Journal of Physics Condensed Matter

TiO(2) nanocrystals were synthesized by a hydrolysis method combined with a thermal treatment. TiO(2) nanocrystals with rutile and anatase structure were selectively synthesized by controlling the pH level in the precursor solution, and the crystallite size was controlled by changing the reaction temperature. Moreover…

ZnO doping and propertiesQuantum Dots Synthesis And PropertiesCopper-based nanomaterials and applications

Magnetic Properties and Large-Scale Synthesis of Novel Carbon Nanocomposites via Benzene Decomposition over Ni Nanoparticles

Xiaosi Qi、Meihua Xu、Wei Zhong 等 8 位作者2009-01-20The Journal of Physical Chemistry C

Nanorods composed of carbon nanoflakes have been synthesized via catalytic decomposition of benzene at temperatures as low as 350 °C over Ni nanoparticles derived from sol−gel synthesis followed by hydrogen reduction. Field-emission scanning electron microscopic and high-resolution transmission electron microscopic im…

Carbon Nanotubes in CompositesGraphene research and applicationsSupercapacitor Materials and Fabrication

Direct-space investigation of the ultraslow ballistic dynamics of a soft glass

Sylvain Mazoyer、Luca Cipelletti、Laurence Ramos2009-01-20Physical Review E

We use light microscopy to investigate the aging dynamics of a glass made of closely packed soft spheres, following a rapid transition from a fluid to a solidlike state. By measuring time-resolved, coarse-grained displacement fields, we identify two classes of dynamical events, corresponding to reversible and irrevers…

Plant Water Relations and Carbon DynamicsMaterial Dynamics and PropertiesTheoretical and Computational Physics

Microcatalytic Combustion of H2on Pt/Al2O3-Coated Nickel Foam

Jungkun Jin、Sejin Kwon2009-01-20Combustion Science and Technology

A new catalyst support, nickel foam, was suggested for use in a microcatalytic combustor. Al2O3 was coated on nickel foam to increase the surface area using a coating slurry prepared by a modified sol-gel process. Rough surface was observed in the SEM examination of Al2O3-coated nickel foam. H2 catalytic combustion wa…

Catalytic Processes in Materials ScienceCombustion and flame dynamicsCatalysis and Oxidation Reactions

Preparation of Doped Ceria Electrolyte Films for SOFCs by Spray Coating Method

Changsheng Ding、Hongfei Lin、Kazuhisa Sato 等 8 位作者2009-01-20Journal of Dispersion Science and Technology

Spray coating method is a cost-effective technique suitable for the preparation of uniform and large-area thin films. This article presents findings on the preparation of dense electrolyte thin films by spray coating method. Dense, crack-free Gd-doped CeO2 (GDC) thin films with a thickness of approximately 2 µm were s…

Advancements in Solid Oxide Fuel CellsCatalysis and Oxidation ReactionsElectronic and Structural Properties of Oxides

Study of the physical properties of a mesogenic mixture showing induced smectic Adphase by refractive index, density and x-ray diffraction measurements

Prithwi Dev Roy、Akhileshwar Prasad、Malay Kumar Das2009-01-20Journal of Physics Condensed Matter

The binary mixture of 4-n-pentyl phenyl 4-n'-hexyloxy benzoate (ME6O.5) and p-cyanophenyl trans-4-pentyl cyclohexane carboxylate (CPPCC) shows the presence of an induced smectic A(d) phase in a certain concentration range 0.03<x(CPPCC)<0.6. The results of the differential scanning calorimetry (DSC), refractive indices…

Liquid Crystal Research AdvancementsSurfactants and Colloidal SystemsMolecular spectroscopy and chirality

Growth Behavior, Microstructure Characterization, and Field-Emission Property of 6-Fold Hierarchical Zn/ZnO Structures Prepared by Direct Annealing

Chi-Yun Kuan、Min‐Hsiung Hon、Jaw-Min Chou 等 4 位作者2009-01-20Crystal Growth & Design

Six-fold core-shelled three-dimensional hierarchical structures were prepared by a direct annealing process. The effect of experimental parameters on density and length of branches of hierarchical Zn/ZnO structure is discussed. The influence of oxide layer formation and the shape of Zn polyhedron on the relaxation of…

ZnO doping and propertiesGas Sensing Nanomaterials and SensorsCopper-based nanomaterials and applications

W18O49and WO3Nanorod Arrays Prepared by AAO-templated Electrodeposition Method

Qi Zhang2009-01-20Bulletin of the Korean Chemical Society

but there has been no other report ever since.Porous anodic aluminum oxide (AAO) membrane has been frequently used as template for the formation of nanorod arrays. Among the various deposition techniques, the electro-chemical deposition has been proven to be an efficient and low-cost technique for the formation of nan…

Conducting polymers and applicationsTransition Metal Oxide NanomaterialsAnodic Oxide Films and Nanostructures

Structural and electronic properties of ZnO polycrystals doped with Co

Noriyuki Hasuike、Koji Nishio、Hiromi Katoh 等 7 位作者2009-01-20Journal of Physics Condensed Matter

Zn(1-x)Co(x)O samples were prepared by a standard solid-state reaction method. Zn(1-x)Co(x)O crystals in the wurtzite structure were obtained with a Co composition of up to 22.1%. The a- and c-axis lengths increased and decreased, respectively, with an increase in Co composition. Raman spectra showed systematic broade…

ZnO doping and propertiesGas Sensing Nanomaterials and SensorsCopper-based nanomaterials and applications

Spin–phonon coupling in multiferroic YbMnO3studied by Raman scattering

Hiroshi Fukumura、Noriyuki Hasuike、Hisatomo Harima 等 7 位作者2009-01-20Journal of Physics Condensed Matter

Hexagonal YbMnO(3) bulk polycrystals were prepared and studied by Raman scattering in the temperature range of 15-300 K. A total of 15 phonon modes of A(1), E(1) and E(2) type were identified. Some E(2) phonon modes showed anomalous temperature variations in frequency at T(N)∼80 K, suggesting a coupling between the sp…

Ferroelectric and Piezoelectric MaterialsMagnetic and transport properties of perovskites and related materialsMultiferroics and related materials

Scaling of Monte Carlo simulations of grain growth in metals

Michael Nosonovsky、Xiangyi Zhang、Sven K. Esche2009-01-20Modelling and Simulation in Materials Science and Engineering

The term microstructure defines many properties of metals that have practical significance.The final microstructure established during metal-forming processes is determined by the grain growth, recrystallization and recovery phenomena.Since these phenomena represent stochastic processes, they require a statistical tre…

Microstructure and mechanical propertiesAluminum Alloy Microstructure PropertiesMetallurgy and Material Forming

Enhanced surface roughness and corrosion resistance of NiTi alloy by anodization in diluted HF solution

Chuanjun Huang、Yibin Xie、Limin Zhou 等 4 位作者2009-01-20Smart Materials and Structures

NiTi shape memory alloy was anodized in diluted hydrogen fluoride. Surface morphologies and compositions of modified NiTi wires were characterized by using scanning probe microscopy (SPM), field-emission scanning electron microscopy (FESEM) equipped with an energy dispersive spectroscopy (EDS) and x-ray photoelectron…

Shape Memory Alloy TransformationsTransition Metal Oxide NanomaterialsAnodic Oxide Films and Nanostructures

Evaluation of Lithium Ion Insertion Reactivity via Electrochromic Diffraction-Based Imaging

Lilia Kondrachova、R. Alan May、C. Cone 等 5 位作者2009-01-20Langmuir

A microscope-CCD setup has been developed as an analytical tool for the detection of diffraction from one-dimensional redox-active transition-metal oxide gratings prepared with a combination of microtransfer molding (microTM) and cathodic electrodeposition. The diffraction efficiencies (DE) of tungsten trioxide, WO3,…

Gas Sensing Nanomaterials and SensorsTransition Metal Oxide NanomaterialsAnalytical Chemistry and Sensors

Mechanism of diffusion in the smectic-Aphase of wormlike rods studied by computer simulation

Giorgio Cinacchi、Luca De Gaetani2009-01-20Physical Review E

Molecular dynamics computer simulations have been carried out in the smectic- A phase of stiff wormlike rods. The analysis of the long trajectories generated has allowed for a detailed insight into that diffusion mechanism which is operative in the above-mentioned liquid-crystalline phase, as recently visualized in a…

Liquid Crystal Research AdvancementsMaterial Dynamics and PropertiesTheoretical and Computational Physics