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First-principles-based phase diagram of the cubic BNC ternary system

Koretaka Yuge、Atsuto Seko、Yukinori Koyama 等 5 位作者2008-03-18Physical Review B

The phase diagram for the cubic BNC ternary system in a heterodiamond structure was examined by Monte Carlo simulations and the cluster expansion technique based on first-principles calculations. All the atomic arrangements exhibit positive formation energies, indicating phase separation into cubic BN $(c\text{\ensure…

Metal and Thin Film MechanicsBoron and Carbon Nanomaterials ResearchMXene and MAX Phase Materials

Ultra-high sensitivity of super carbon-nanotube-based mass and strain sensors

Ying Li、Xinming Qiu、Fan Yang 等 5 位作者2008-03-18Nanotechnology

Based on the molecular structure mechanics method, the dynamic properties of super carbon nanotubes (STs), together with ST-based mass and strain sensors, are investigated. The following results are obtained: (a) the fundamental frequency of the STs is found to be lower than that of the single-wall carbon nanotube (SW…

Carbon Nanotubes in CompositesForce Microscopy Techniques and ApplicationsMechanical and Optical Resonators

Densification of Nanocrystalline Yttria by Low Temperature Spark Plasma Sintering

Hidehiro Yoshida、Koji Morita、Byung‐Nam Kim 等 7 位作者2008-03-18Journal of the American Ceramic Society

We investigated the densification of undoped, nanocrystalline yttria (Y 2 O 3 ) powder by spark plasma sintering (SPS) at sintering temperatures between 650°C and 1050°C at a heating rate of 10°C/min and an applied stress of 83 MPa. In spite of the low sinterability of the undoped Y 2 O 3 , a remarkable densification…

Luminescence Properties of Advanced MaterialsAdvanced ceramic materials synthesisNuclear materials and radiation effects

Solid-Phase Synthesis of Amphiphilic Dendron-Surface-Modified Silica Particles and Their Application Toward Water Purification

Chih‐Chien Chu、Norio Ueno、Toyoko Imae2008-03-18Chemistry of Materials

Surface modification of silica particles by an amphiphilic poly(amido amine) (PAMAM) dendron and investigation of their advanced application toward water purification have been demonstrated. The amphiphilic dendron-surface-modified silica particles (C18GnS, n = 1−3) were prepared by solid-phase synthetic strategy incl…

Advanced Polymer Synthesis and CharacterizationDendrimers and Hyperbranched PolymersCovalent Organic Framework Applications

Protein Crystallography through Supramolecular Interactions between a Lanthanide Complex and Arginine

Guillaume Pompidor、Anthony D’Aléo、J. Vicat 等 7 位作者2008-03-18Angewandte Chemie International Edition

Crystal clear: Strong supramolecular interactions between tris(dipicolinate)lanthanide complexes and arginine-like moieties have been evidenced by NMR chemical shift titration and X-ray diffraction analyses. Since the lanthanide atom is a strong anomalous scatterer, and the complex itself is luminescent, this interact…

Metal complexes synthesis and propertiesEnzyme Structure and FunctionLanthanide and Transition Metal Complexes

Hydrogen Storage in Porous Cyanometalates: Role of the Exchangeable Alkali Metal

Leslie Reguera、Jorge Balmaseda、L. F. del Castillo 等 4 位作者2008-03-18The Journal of Physical Chemistry C

The hydrogen storage in zeolite-like hexacyanometalates with different exchangeable alkali metals within the cavities was studied. The H 2 adsorption isotherms were recorded at 75 and 85 K in order to estimate the involved adsorption heats using the isosteric method. The electric field gradient within the porous frame…

Advanced Battery Materials and TechnologiesHydrogen Storage and MaterialsNanomaterials for catalytic reactions

Molecular Level Processes and Nanostructure Evolution During the Formation of the Cubic Mesoporous Material KIT-6

Sharon Ruthstein、Judith Schmidt、Ellina Kesselman 等 8 位作者2008-03-18Chemistry of Materials

This study focuses on the formation mechanism of the bicontinuous cubic Ia 3̅ d mesoporous material KIT-6, both on the molecular and on the mesoscopic levels. KIT-6 is synthesized with Pluronic P123 (PEO 20 PPO 70 PEO 20 ), low acid concentration, and n -butanol at 40 °C. Through in situ EPR measurements on a series o…

Mesoporous Materials and CatalysisPolyoxometalates: Synthesis and ApplicationsLayered Double Hydroxides Synthesis and Applications

Identification of shallow Al donors in Al-doped ZnO nanocrystals: EPR and ENDOR spectroscopy

S. B. Orlinskiĭ、J. Schmidt、P. G. Baranov 等 7 位作者2008-03-18Physical Review B

Electron paramagnetic resonance and electron-nuclear double resonance (ENDOR) experiments on ZnO nanoparticles doped with Al reveal the presence of shallow, effective-masslike donors related to substitutional Al atoms. The shallow character of the Al donor is evidenced by the multitude of ENDOR transitions of the $^{6…

ZnO doping and propertiesQuantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin Films

Modelling of multi-wall CNT devices by self-consistent analysis of multichannel transport

Davide Mencarelli、T. Rozzi、C Camilloni 等 6 位作者2008-03-18Nanotechnology

We present a generalization of the self-consistent analysis of carbon nanotube (CNT) field effect transistors (FETs) to the case of multi-wall/multi-band coherent carrier transport. The contribution to charge diffusion, due to different walls and sub-bands of a multi-wall (mw) CNT is shown to be non-negligible, especi…

Carbon Nanotubes in CompositesGraphene research and applicationsAdvancements in Semiconductor Devices and Circuit Design

Effect of Attapulgite filler on the properties of Nylon‐6

Chandramouleeswaran Subramani、Vijay S. Jamnik、S. T. Mhaske2008-03-18Polymer Composites

Abstract Nylon‐6/Attapulgite (ATP) composites were prepared by melt blending in a twin screw extruder. Nylon‐6/ATP composites were tested for its mechanical, rheological, thermal and morphological properties. The results have shown drastic improvement in the flexural modulus by 74% at the loading level of 4% of ATP. T…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesNatural Fiber Reinforced Composites

Optical susceptibilities of Na3La9O3(BO3)8, ternary oxyborate nonlinear single crystal: theory and experiment

A.H. Reshak、S. Auluck、I.V. Kityk2008-03-18Journal of Physics Condensed Matter

Experimental and theoretical simulations of linear and nonlinear optical susceptibilities of the novel Na3La9O3(BO3)8, a ternary oxyborate nonlinear single crystal, are reported here. The calculations were based on one of the most accurate methods for the computation of the linear and nonlinear optical susceptibilitie…

Crystal Structures and PropertiesNonlinear Optical Materials ResearchPhotorefractive and Nonlinear Optics

Corrosion of ZrB 2 Powder During Wet Processing – Analysis and Control

Sea‐Hoon Lee、Yoshio Sakka、Yutaka Kagawa2008-03-18Journal of the American Ceramic Society

Corrosion behavior of ZrB 2 powder during wet processing in water or ethyl alcohol was studied both with and without an organic additive. Incorporation of oxygen and pH change did not intensively occur during static aging of aqueous slurries, but corrosion was enhanced when stirring the slurries. The oxygen content of…

Advanced ceramic materials synthesisNuclear Materials and PropertiesAdvanced materials and composites

Effect of glass fibers on rheology, thermal and mechanical properties of recycled PET

Milan Kráčalík、Ladislav Pospíšil、Miroslav Šlouf 等 7 位作者2008-03-18Polymer Composites

Abstract PET‐glass fiber composites were prepared by melt mixing of recycled PET with chopped glass fibers (15, 20, and 30 wt%) and their degree of dispersion was assessed by scanning electron microscopy. Rotational rheometry was employed to analyze the interfacial shear strength between the fibers and polymer matrix…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesComposite Material Mechanics

A Non‐Covalent Method to Functionalize Multi‐Walled Carbon Nanotubes Using Six‐Armed Star Poly(L‐lactic acid) with a Triphenylene Core

Liping Yang、Cai‐Yuan Pan2008-03-18Macromolecular Chemistry and Physics

Abstract Well‐defined six‐armed star poly( L ‐lactic acid) (PLLA) with a triphenylene core has been prepared by ring‐opening polymerization of L ‐lactide. As a result of strong π – π interactions between the triphenylene core and the multi‐walled carbon nanotubes (MWCNTs), the polymer was conveniently immobilized on t…

Carbon Nanotubes in CompositesConducting polymers and applicationsFullerene Chemistry and Applications

Novel Electrospun Nanofibers Composed of Polyelectrolyte Complexes

Hristo Penchev、Dilyana Paneva、Nevena Manolova 等 4 位作者2008-03-18Macromolecular Rapid Communications

Abstract A simple method to obtain novel nanofibers composed of polyelectrolyte complexes (PECs) has been proposed. It consists of the electrospinning of a mixed homogeneous solution of polyelectrolyte partners, and the formation of PEC during the electrospinning. This was achieved by careful choice of the composition…

Advanced Sensor and Energy Harvesting MaterialsConducting polymers and applicationsElectrospun Nanofibers in Biomedical Applications

Thermomechanical and Morphological Characteristics of Cross‐Linked GAP and GAP–HTPB Networks with Different Diisocyanates

Suresh Mathew、S. K. Manu、Thomas Varghese2008-03-18Propellants Explosives Pyrotechnics

Abstract This paper describes the mechanical and thermal characterisation of cross‐linked glycidyl azide polymer (GAP) and GAP–hydroxyl terminated polybutadiene (HTPB) networks. Cross‐linked GAP and GAP–HTPB networks were prepared by reacting GAP diol and GAP–HTPB diol mixture with different diisocyanates. The physica…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesEnergetic Materials and Combustion

Low‐Band Gap Polymeric Cyanine Dyes Absorbing in the NIR Region

Thomas Geiger、Hadjar Benmansour、Bin Fan 等 5 位作者2008-03-18Macromolecular Rapid Communications

Abstract Two new, fully conjugated polymeric cyanine dyes based on trimethine and heptamethine moieties have been synthesized. Both polymers were characterized by gel permeation chromatography, UV‐vis and IR spectroscopy, elementary analysis and cyclic voltammetry. The structure of one material could be confirmed with…

Organic Electronics and PhotovoltaicsConducting polymers and applicationsPhotochromic and Fluorescence Chemistry

(Terpyridine)copper(II)−Carbon Nanohorns: Metallo-nanocomplexes for Photoinduced Charge Separation

Georgios Rotas、Atula S. D. Sandanayaka、Nikos Tagmatarchis 等 7 位作者2008-03-18Journal of the American Chemical Society

New metallo-nanostructured materials of carbon nanohorns (CNHs), within the family of elongated carbon nanotubes, have been prepared by the coordination of copper(II)-2,2':6',2' '-terpyridine (Cu(II)tpy) with oxidized carbon nanohorns (CNHs-COOH). The resulted CNHs-COO-Cu(II)tpy metallo-nanocomplexes have been charact…

Carbon Nanotubes in CompositesPorphyrin and Phthalocyanine ChemistryFullerene Chemistry and Applications

Network Rigidity inGeSe2Glass at High Pressure

Sytle M. Antao、Chris J. Benmore、Baosheng Li 等 6 位作者2008-03-18Physical Review Letters

Acoustic measurements using synchrotron radiation have been performed on glassy GeSe2 up to pressures of 9.6 GPa. A minimum observed in the shear-wave velocity, associated anomalous behavior in Poisson's ratio, and discontinuities in elastic moduli at 4 GPa are indicative of a gradual structural transition in the glas…

Material Dynamics and PropertiesGlass properties and applicationsPhase-change materials and chalcogenides

Kinetics of Ultrasonic Polymer Degradation: Comparison of Theoretical Models with On‐Line Data

Ali Özhan Akyüz、Huceste Çatalgil‐Giz、Ahmet Giz2008-03-18Macromolecular Chemistry and Physics

Abstract PVP solutions were sonicated with high‐intensity ultrasound, and the weight‐average molecular weight was monitored by an ACOMP system. The use of continuous on‐line data to critically evaluate various models showed that the molecular weight decreased towards a limiting value. Theoretical and phenomenological…

Ultrasound and Cavitation PhenomenaThermal and Kinetic AnalysisPolymer Science and PVC