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Cluster nature of the solvent features of single‐wall carbon nanohorns

Francisco Torrens、Gloria Castellano2009-06-15International Journal of Quantum Chemistry

Abstract The existence of single‐wall carbon nanotubes (SWNTs) in organic solvents, in the form of clusters, is discussed. A theory is developed based on a bundlet model for clusters, describing the distribution function of clusters by size. The phenomena have a unified explanation in the bundlet model of clusters, in…

Carbon Nanotubes in CompositesGraphene research and applicationsFullerene Chemistry and Applications

Can molecular quantum descriptors predict the butene selectivity in nickel(II) catalyzed ethylene dimerization? A QSPR study

Vincent Tognetti、Guillaume Fayet、Carlo Adamo2009-06-15International Journal of Quantum Chemistry

Abstract In this article, we assess the ability of common molecular descriptors issued from quantum chemistry calculations (geometrical parameters, atomic charges, isodesmic energies, polarizabilities, and descriptors from conceptual DFT) to predict the butene selectivity in the mixed (P,N)‐nickel(II) catalyzed ethyle…

Advanced Chemical Physics StudiesComputational Drug Discovery MethodsMachine Learning in Materials Science

Negative capacitance in Wigner crystal forming polymer nanowires

Atikur Rahman、M. K. Sanyal2009-06-15Applied Physics Letters

Negative capacitance has been observed in conducting polymer nanowires. These nanowires exhibit features of one-dimensional Wigner crystals, such as switching transition that reduces resistance by several orders of magnitude, negative differential resistance, and enhancement of noise in the switched state. Negative ca…

Organic Electronics and PhotovoltaicsAdvanced Memory and Neural ComputingConducting polymers and applications

Optical studies on ZnO films prepared by sol‐gel method

Tubai Ghosh、S. Bandopadhyay、Krittish Roy 等 5 位作者2009-06-15Crystal Research and Technology

Abstract A standard sol‐gel method was used to deposit ZnO thin films of suitable thickness on glass substrate.The optical characteristics of the visible to infrared range on thermal stress were critically observed. Morphological signature of the films was detected by X‐ray diffraction (XRD) and the crystallite size d…

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

Improvement of the phase diagram for the pseudobinary PbNb2O6–BaNb2O6 system

Michel Venet、Fábio L. Zabotto、J. A. Eiras 等 4 位作者2009-06-15Journal of Applied Physics

Characteristics of phase transitions of lead barium niobate compositions around the morphotropic phase boundary were investigated. Using structural characterizations, it was found that the morphotropic phase boundary extends toward a wide composition range, in which both tetragonal (4mm) and orthorhombic (m2m) tungste…

Ferroelectric and Piezoelectric MaterialsAcoustic Wave Resonator TechnologiesMicrowave Dielectric Ceramics Synthesis

Field-Induced Phase Transition in Antiferroelectric Creamics of (Pb, La)(Zr, Sn, Ti)O3

Tongqing Yang、Xi Yao2009-06-15Ferroelectrics

External field-induced phase transition in the lanthanum-doped lead zirconate titanate stannate antiferroelectric ceramics near morphotropic phase boundary were studied as a function of electric field and temperature. Upon application of an electric field to the antiferroelectric ceramics that was larger than the fiel…

Ferroelectric and Piezoelectric MaterialsGlass properties and applicationsComposite Material Mechanics

Frequency dependence of dielectric anomaly around Néel temperature in bilayer manganite Pr(Sr0.1Ca0.9)2Mn2O7

Barnali Ghosh、Dipten Bhattacharya、A. K. Raychaudhuri 等 4 位作者2009-06-15Journal of Applied Physics

The anomaly in dielectric constant versus temperature plot, around the Néel temperature TN (∼150 K), is found to be frequency dependent in a single crystal of bilayer manganite Pr(Sr0.1Ca0.9)2Mn2O7. The anomaly in the permittivity (ε′∥c) occurs at a temperature Tf which moves within a temperature window (ΔTf) of ∼40 K…

Magnetic and transport properties of perovskites and related materialsMultiferroics and related materialsDielectric properties of ceramics

Multifrequency cloak with multishell by using transformation medium

Yong Gao、Jiping Huang、K. W. Yu2009-06-15Journal of Applied Physics

We theoretically investigate multifrequency cloak based on multishell by using transformation medium. As for each shell, we use the Maxwell–Garnett theory and the spectral representation theory to design the permittivity profile for the transverse magnetic wave. The plasma frequencies of the metals used in the inner (…

Metamaterials and Metasurfaces ApplicationsElectromagnetic Scattering and AnalysisAdvanced Antenna and Metasurface Technologies

Evolution of electroluminescence from multiple Si-implanted silicon nitride films with thermal annealing

Z. H. Cen、T. P. Chen、Lu Ding 等 10 位作者2009-06-15Journal of Applied Physics

Influence of thermal annealing on electroluminescence (EL) from multiple-Si-implanted silicon nitride films has been investigated. A reduced injection current and an enhanced EL intensity have been obtained simultaneously by increasing the annealing temperature, which results in a higher EL quantum efficiency. In addi…

Semiconductor materials and devicesSilicon Nanostructures and PhotoluminescenceNanowire Synthesis and Applications

The Influence ofMaterial Properties and Confinement on the Dynamic Penetration of Alumina by HardSpheres

Zhiyong Wei、A. G. Evans、V.S. Deshpande2009-06-15Journal of Applied Mechanics

Abstract The ability of a ceramic to resist penetration by projectiles depends, in a coupled manner, on its confinement and its mechanical properties. In order to explore the fundamental inter-relationships, a simulation protocol is required that permits the microstructure and normative properties (hardness and toughn…

Rock Mechanics and ModelingHigh-pressure geophysics and materialsHigh-Velocity Impact and Material Behavior

Properties of sericin–glucomannan composite films

Rungsinee Sothornvit、Rungsima Chollakup2009-06-15International Journal of Food Science & Technology

Summary Sericin is a natural silk protein which is removed from silk in a process called degumming. Thus, finding a use for the extracted sericin as a biopolymer film will create added value which will benefit both the economy and society. It was found that extracted sericin could not form stand‐alone films. Therefore…

Silk-based biomaterials and applicationsPhytochemical compounds biological activitiesSilkworms and Sericulture Research

Identification of Mn Site in BaTiO3by Synchrotron X-Ray Absorption Spectroscopy Measurements

Rattikorn Yimnirun、Jirapa Tangsritrakul、Saroj Rujirawat 等 4 位作者2009-06-15Ferroelectrics

In this work, an X-ray Absorption Spectroscopy (XAS) measurement was employed to determine the local structure of Mn in BaTiO 3 . A combination of Synchrotron X-ray absorption near-edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) experiments was performed on Mn-doped BaTiO 3 samples. The BaT…

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

Combined effects of crucible geometry and Marangoni convection on silicon Czochralski crystal growth

F. Mokhtari、A. Bouabdallah、M. Zizi 等 5 位作者2009-06-15Crystal Research and Technology

Abstract In order to understand the influence of crucible geometry combined with natural convection and Marangoni convection on melt flow pattern, temperature and pressure fields in silicon Czochralski crystal growth process, a set of numerical simulations was conducted. We carry out calculation enable us to determine…

Phase Change Materials ResearchSolidification and crystal growth phenomenaFluid Dynamics and Thin Films

Dielectric behavior and phase transition in perovskite oxide Pb(Fe1/2Nb1/2)1−xTixO3 single crystal

Yanmin Jia、Haosu Luo、Siu Wing Or 等 5 位作者2009-06-15Journal of Applied Physics

Perovskite oxide Pb(Fe1/2Nb1/2)0.52Ti0.48O3 crystals, which were grown using a modified Bridgman method, show a high low-frequency dielectric constant response at room temperature. The Curie phase transition occurs at 523 K. The characteristic frequency of the dielectric dispersion versus the inverse of temperature ob…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsDielectric properties of ceramics

Structures of Polyaniline Bases: Semi‐Empirical Computations

Ki‐Ho Lee、Dong Hyun Song、Bong Jun Park 等 5 位作者2009-06-15Macromolecular Theory and Simulations

Abstract Both MM3 and semi‐empirical electronic structure calculations were performed for studying different conformations of PANI oligomers. The results were compared with experimental findings and analyzed to predict the relationship among individual conformations of single PANI chains, structures of packed PANI bas…

Supercapacitor Materials and FabricationElectrochemical sensors and biosensorsConducting polymers and applications

Strain effect on recovery behaviors from circular deformation of natural rubber vulcanizate

Sung‐Seen Choi、Dong‐Hun Han2009-06-15Journal of Applied Polymer Science

Abstract The recovery behaviors of vulcanized natural rubber from circular deformation were studied by varying sample length to investigate the influence of the degree of applied strain to the sample. The stress and strain varied uniformly across the thickness of the sample, and the degree of applied stress and strain…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesRheology and Fluid Dynamics Studies

Thermal decomposition of natural fibers: Global kinetic modeling with nonisothermal thermogravimetric analysis

Fei Yao、Qinglin Wu、Dingguo Zhou2009-06-15Journal of Applied Polymer Science

Abstract The modeling of thermal decomposition process of ten natural fibers commonly used in polymer composite industry was performed by assuming a global model occurring within the entire degradation range with consideration of fiber as one pseudocomponent. Málek method with activation energy values previously obtai…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesThermal and Kinetic Analysis

Growth behavior of nanocrystalline diamond films on ultrananocrystalline diamond nuclei: The transmission electron microscopy studies

Chuansheng Wang、Huang-Chin Chen、Hsiu‐Fung Cheng 等 4 位作者2009-06-15Journal of Applied Physics

Micron-crystalline diamond (MCD) films with a unique microstructure were synthesized using a modified nucleation and growth process, in which a thin layer of ultrananocrystalline diamond (UNCD) was used as nucleation layer for growing diamond films in H2-plasma. Thus obtained (MCD)UNCD diamond films consist of nanosiz…

Metal and Thin Film MechanicsHigh-pressure geophysics and materialsDiamond and Carbon-based Materials Research

Loading of Exponentially Grown LBL Films with Silver Nanoparticles and Their Application to Generalized SERS Detection

Sara Abalde‐Cela、Szushen Ho、Benito Rodríguez‐González 等 7 位作者2009-06-15Angewandte Chemie

Abstract Filmvorstellung : Dünne Filme, die durch exponentielles Schichtenwachstum erzeugt wurden, zeigen hohe Diffusivitäten und lassen sich leicht mit anorganischen Nanopartikeln infiltrieren. Die Filme können molekulare Systeme abhängig von der Schichtzusammensetzung aus Lösungen sequestrieren und liefern oberfläch…

Gold and Silver Nanoparticles Synthesis and ApplicationsAdvanced biosensing and bioanalysis techniquesNanocluster Synthesis and Applications

Local and average structures of the proton conducting Y-doped BaCeO3 from neutron diffraction and neutron pair distribution function analysis

Lorenzo Malavasi、Hyunjeong Kim、Thomas Proffen2009-06-15Journal of Applied Physics

In this paper we investigated the most important family of proton conducting oxides, i.e., cerates, by means of neutron diffraction and of pair distribution function analysis (PDF). The paper describes the structural effects of Y-doping and water incorporation in cerates proton conductors from a viewpoint of the avera…

High-pressure geophysics and materialsAdvanced Condensed Matter PhysicsX-ray Diffraction in Crystallography