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Exploring the Sodium Cation Location and Aluminum Distribution in ZSM-5: A Systematic Study by the Extended ONIOM (XO) Method

Zhen-Kun Chu、Gang Fu、Wenping Guo 等 4 位作者2011-06-29The Journal of Physical Chemistry C

There exist 12 crystallographically distinct Al-sites in the ZSM-5 zeolite, associated with which there are various Na-sites. Understanding their locations, while being the key to the understanding of the catalytic properties of this material, remains a great challenge in both experiment and theory. We present here a…

Advanced Chemical Physics StudiesCatalytic Processes in Materials ScienceZeolite Catalysis and Synthesis

Metallic slit arrays filled with third-order nonlinear media: Optical Kerr effect and third-harmonic generation

Sergio G. Rodrigo、Sol Carretero‐Palacios、F. J. García‐Vidal 等 4 位作者2011-06-29Physical Review B

A theoretical study on the nonlinear optical properties of both gold and nickel slit arrays inlaid with a third-order nonlinear dielectric medium is presented. In particular, we investigate the optical Kerr effect and third harmonic generation. The geometrical parameters, along with the optical properties of each meta…

Metamaterials and Metasurfaces ApplicationsPlasmonic and Surface Plasmon ResearchOptical Coatings and Gratings

Hybrid Drying of Rubberwood Using Superheated Steam and Hot Air in a Pilot-Scale

Ram Yamsaengsung、Surapit Tabtiang2011-06-29Drying Technology

A pilot-scale rubberwood dryer was constructed and injected with superheated steam and hot air to study the effect of the hybrid system on the drying rate and mechanical properties of the wood. A total of 300 pieces of rubberwood boards, each with dimensions of 1000 mm long × 76.2 mm wide × 25.4 mm thick, were stacked…

Wood Treatment and PropertiesNatural Fiber Reinforced CompositesBamboo properties and applications

On the Heat-Flux Dependent Thermoelasticity for Micropolar Porous Media

Francesca Passarella、Vincenzo Tibullo、Vittorio Zampoli2011-06-29Journal of Thermal Stresses

In the present paper, in the context of the linear theory of heat-flux dependent thermoelasticity for micropolar porous media, we derive a uniqueness theorem with no positive definiteness assumption on the elastic constitutive coefficients. Moreover, we prove, under non homogeneous initial conditions, a reciprocal rel…

Thermoelastic and Magnetoelastic PhenomenaNonlocal and gradient elasticity in micro/nano structuresAdvanced Mathematical Modeling in Engineering

Thermodynamic Evaluation and Optimization of the Al 2 O 3 –SiO 2 –AlF 3 –SiF 4 Reciprocal System Using the Modified Quasichemical Model

Guillaume Lambotte、Patrice Chartrand2011-06-29Journal of the American Ceramic Society

All available thermodynamic and phase diagram data for the ternary reciprocal system Al 2 O 3 –SiO 2 –AlF 3 –SiF 4 have been critically reviewed. The oxyfluoride liquid solution was modeled using the M odified Q uasichemical M odel in the Q uadruplet A pproximation and the most reliable data have been used to optimize…

Advanced ceramic materials synthesisMetallurgical Processes and ThermodynamicsAdvanced materials and composites

Electronic Properties of Interfaces between PCPDTBT and Prototypical Electrodes Studied by Photoemission Spectroscopy

Umut Aygül、Heiko Peisert、Johannes Frisch 等 6 位作者2011-06-29ChemPhysChem

We report on the electronic structure of poly[2,6-(4,4-bis- (2-ethylhexyl)-4H-cyclopenta[2,1-b;3,4-b']dithiophene)-alt-4,7(2,1,3-benzothiadiazole)] (PCPDTBT), a promising low-band-gap donor material for efficient bulk heterojunction organic solar cells. Electronic properties of interfaces formed between PCPDTBT and pr…

Organic Electronics and PhotovoltaicsOrganic Light-Emitting Diodes ResearchConducting polymers and applications

The high-temperature phase equilibria of the Ni–Sn–Zn system: Isothermal sections

Clemens Schmetterer、Divakar Rajamohan、Herbert Ipser 等 4 位作者2011-06-29Intermetallics

In this work three complete isothermal sections of the Ni–Sn–Zn system at 700, 800 and 900 °C are presented. They were constructed based on experimental investigation of more than 60 alloy samples. Powder XRD, single crystal XRD, EPMA, and DTA measurements on selected samples were carried out. Two new ternary compound…

Electronic Packaging and Soldering TechnologiesIntermetallics and Advanced Alloy PropertiesMetallurgical and Alloy Processes

CH Bond Activation of Methanol and Ethanol by a High‐Spin FeIVO Biomimetic Complex

William A. Donald、Christine J. McKenzie、Richard A. J. O’Hair2011-06-29Angewandte Chemie

C-H-, O-H- oder C-O-Aktivierung? Der Nicht-Häm-Komplex [(bpg)FeIVO]+ aktiviert die αC-H-Bindung primärer Alkohole im Vakuum durch H-Abstraktion im geschwindigkeitsbestimmenden Schritt (siehe Schema). Der Effekt wirkt jedem Versuch einer Reaktivitätssteigerung entgegen, die aus einer Erhöhung der formalen Oxidationsstu…

Metal complexes synthesis and propertiesPorphyrin and Phthalocyanine ChemistryMetal-Catalyzed Oxygenation Mechanisms

Control of Elongated Plasma in Presence of ELMs in the JET Tokamak

Teresa Bellizio、R. Albanese、G. Ambrosino 等 17 位作者2011-06-29IEEE Transactions on Nuclear Science

Tokamaks are the most promising approach for nuclear fusion on earth. They are toroidal machines where the plasma is heated in a ring-shaped vessel and kept away from the vessel by applied magnetic fields. To achieve high performance in tokamaks, plasmas with elongated poloidal cross-section are needed. Such elongated…

Magnetic confinement fusion researchFusion materials and technologiesSuperconducting Materials and Applications

Extension of Planck's law of thermal radiation to systems with a steady heat flux

Bair V. Budaev、David B. Bogy2011-06-29Annalen der Physik

Planck's law of thermal radiation is limited to equilibrium systems that have a definite temperature and do not carry any heat flux. Here we extend it to steady-state systems with a constant heat flux. The obtained formulas explicitly describe the spectrum of thermal radiation in every direction and provide a sound ba…

Thermal properties of materialsAdvanced Thermodynamics and Statistical MechanicsThermal Radiation and Cooling Technologies

Self-Assembled TiO2 with Increased Photoelectron Production, and Improved Conduction and Transfer: Enhancing Photovoltaic Performance of Dye-Sensitized Solar Cells

Saquib Ahmed、Aurelien Du Pasquier、Dunbar P. Birnie 等 4 位作者2011-06-29ACS Applied Materials & Interfaces

Highly crystalline mesoporous anatase TiO(2) is prepared through supramolecular self-assembly and by utilizing cetyltrimethylammonium bromide (CTAB) as templating material. Photoanodes of dye-sensitized solar cells (DSSCs) made from these TiO(2) nanoparticles are found to have a high specific surface area of 153 m(2)/…

TiO2 Photocatalysis and Solar CellsAdvanced Photocatalysis TechniquesAdvanced Nanomaterials in Catalysis

Hydraulic conductance and viscous coupling of three-phase layers in angular capillaries

Hassan Dehghanpour、B. Aminzadeh、David A. DiCarlo2011-06-29Physical Review E

Predicting three-phase relative permeability by network models requires reliable models for hydraulic conductance of films and layers stabilized by capillary forces at the pore level. We solve the creeping flow approximation of the Navier-Stokes equation for stable wetting and intermediate layers in the corner of angu…

Block Copolymer Self-AssemblyNanopore and Nanochannel Transport StudiesLattice Boltzmann Simulation Studies

Theoretical Investigation of a Dye Solar Cell Wrapped Around an Optical Fiber

Alessio Gagliardi、Matthias Auf der Maur、Aldo Di Carlo2011-06-29IEEE Journal of Quantum Electronics

Dye solar cells (DSCs) are a complementary type of solar cell devices, and particularly interesting because they can be assembled in new and more exotic architectures compared to conventional solar cells. These systems need to be simulated preserving the real geometry of the device. In this paper, we use a 3-D model o…

TiO2 Photocatalysis and Solar CellsQuantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin Films

Influence of Pressure on Volume, Temperature and Crystallization of Thermoplastics during Polymer Processing

Natalie Rudolph、Tim A. Osswald、Gottfried W. Ehrenstein2011-06-29International Polymer Processing

Abstract The main shrinkage and dimensional stability impact factors are processing temperature and pressure. For that reason, the pvT-behaviour is often used to estimate plastic part shrinkage. As there are still differences between predicted and actual part dimensions, a closer look was taken at these influencing fa…

Polymer crystallization and propertiesAdditive Manufacturing and 3D Printing TechnologiesInjection Molding Process and Properties

Synthesis and Structural Characterization of Copper(I), Silver(I) and Gold(I) Complexes with Pyrimidine‐2‐thionato Ligands and their Adducts with Phosphanes

Antonio Rodrı́guez、A. Sousa‐Pedrares、J.A. García-Vázquez 等 5 位作者2011-06-29European Journal of Inorganic Chemistry

Abstract Homoleptic copper and silver compounds of a series of pyrimidine‐2‐thionato derivatives (RpymS–; R = 4,6‐Me2,5‐Et; 4‐CF3; 4,6‐CF3,Ph) have been synthesized by electrochemical oxidation of anodic metal (copper or silver) in a cell containing an acetonitrile solution of the appropriate thione and a small amount…

Metal complexes synthesis and propertiesMagnetism in coordination complexesOrganometallic Compounds Synthesis and Characterization

Magnetic properties of FeAl 2 and Fe 2 Al 5

Zvonko Jagličić、S. Vrtnik、M. Feuerbacher 等 4 位作者2011-06-29Physical Review B

We have investigated magnetic properties of the FeAl${}_{2}$ and Fe${}_{2}$Al${}_{5}$ intermetallic compounds. By measuring the zero-field-cooled and field-cooled static (dc) magnetic susceptibilities in low and high magnetic fields, the frequency-dependent (ac) susceptibility, the magnetization versus the magnetic fi…

Theoretical and Computational PhysicsMetallic Glasses and Amorphous AlloysQuasicrystal Structures and Properties

Spreading of a dielectric droplet through an interfacial electric pressure

Seyed Reza Mahmoudi、Kazimierz Adamiak、G.S.P. Castle2011-06-29Proceedings of the Royal Society A Mathematical Physical and Engineering Sciences

A corona discharge-assisted technique for spreading of a gently deposited dielectric droplet into a uniform thin film over a dry isothermal conductive substrate is proposed. The surface charge was built up over the droplet interface through ion bombardment using a sharp emitter electrode. Interaction of the surface ch…

Surface Modification and SuperhydrophobicityFluid Dynamics and Heat TransferElectrohydrodynamics and Fluid Dynamics

A Model for Large Deflections of Nanobeams and Experimental Comparison

Yasothorn Sapsathiarn、R. K. N. D. Rajapakse2011-06-29IEEE Transactions on Nanotechnology

Bending tests are commonly used for characterization of materials at the nanoscale. Beams are also key elements of nanomechanical and nanoelectromechanical devices. This paper is motivated by recent experiments of large deflections of chromium cantilevers and modeling based on the classical large deflection beam theor…

Advanced MEMS and NEMS TechnologiesForce Microscopy Techniques and ApplicationsNonlocal and gradient elasticity in micro/nano structures

Degradation Model of Self-Heating Effects in Silicon-on-Glass TFTs

Mallory Mativenga、Min Hyuk Choi、Jin Jang 等 7 位作者2011-06-29IEEE Transactions on Electron Devices

This paper investigates the origin and reduction of self-heating effects in single-crystal silicon-on-glass (SiOG) thin-film transistors (TFTs). A hump forms in the transfer characteristics of p-channel SiOG TFTs when the temperature of the devices is increased either by direct heating or electrical biasing. The size…

Thin-Film Transistor TechnologiesSilicon and Solar Cell TechnologiesSilicon Nanostructures and Photoluminescence

Reduction of Unbalanced Magnetic Pull in Synchronous Machines due to Parallel Circuits

Mattias Wallin、Martin Ranlöf、Urban Lundin2011-06-29IEEE Transactions on Magnetics

This paper describes an analysis of the damping of unbalanced magnetic pull (UMP) in salient pole synchronous machines due to parallel stator circuits. Measurements of the UMP and currents in the parallel circuits have been performed on a 12-pole generator with the stator displaced relative to the rotor, creating a st…

Electric Motor Design and AnalysisMagnetic Properties and ApplicationsMagnetic Bearings and Levitation Dynamics