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A Systematic Density Functional Study of Molecular Oxygen Adsorption and Dissociation on the (001) Surface of Group IV−VI Transition Metal Carbides

Francesc Viñes、Carmen Sousa、Francesc Illas 等 5 位作者2007-10-19The Journal of Physical Chemistry C

A systematic density functional study of the adsorption and dissociation of O 2 on the (001) surface of several transition metal carbides (TCMs; TM = Ti, Zr, Hf, V, Nb, Ta, Mo) is presented. It is found that O 2 may adsorb molecularly on two different sites with similar adsorption energy. At these sites, either O 2 br…

Catalytic Processes in Materials ScienceCatalysis and Hydrodesulfurization StudiesAdvanced materials and composites

Highly Refractive Polyimides Derived from 2,8‐Bis(p‐aminophenylenesulfanyl)dibenzothiophene and Aromatic Dianhydrides

Jingang Liu、Yasuhiro Nakamura、Claudio A. Terraza 等 6 位作者2007-10-19Macromolecular Chemistry and Physics

Abstract A series of wholly aromatic PIs were prepared from a newly synthesized sulfur‐containing diamine and various aromatic dianhydrides via a two‐step polycondensation procedure. Flexible and tough PI films were cast from their soluble PAA precursors. The PIs showed good thermal stability with 5% weight loss tempe…

Photonic and Optical DevicesSynthesis and properties of polymersSilicone and Siloxane Chemistry

Activation enthalpy for kink-pair nucleation on dislocations: Comparison between static and dynamic atomic-scale simulations

David Rodney2007-10-19Physical Review B

We show in the case of a high-Peierls-stress Lomer dislocation in an aluminum crystal that the dependence of the kink-pair activation enthalpy on the stress obtained from static nudged elastic band method calculations agrees with that extracted from dynamical, constant strain-rate simulations. In order to perform the…

Advanced ceramic materials synthesisMicrostructure and mechanical propertiesForce Microscopy Techniques and Applications

Resonance Conditions for Multipole Plasmon Excitations in Noble Metal Nanorods

Ezequiel R. Encina、Eduardo A. Coronado2007-10-19The Journal of Physical Chemistry C

A resonance condition has been obtained for the position of plasmon peaks of any multipole order in the extinction spectra of silver and gold nanorods, as a function of their material, size, shape, and dielectric environment. The expression has been derived combining electrodynamics simulations with the aid of a nanoa…

Gold and Silver Nanoparticles Synthesis and ApplicationsAdvanced biosensing and bioanalysis techniquesPlasmonic and Surface Plasmon Research

Dielectric relaxation and electronic structure ofCa(Fe1∕2Sb1∕2)O3

Alo Dutta、T.P. Sinha、Santiranjan Shannigrahi2007-10-19Physical Review B

The frequency-dependent dielectric relaxation of calcium-iron-antimonate $[\mathrm{Ca}({\mathrm{Fe}}_{1∕2}{\mathrm{Sb}}_{1∕2}){\mathrm{O}}_{3}]$ (CFS) ceramic, synthesized by a solid-state reaction technique is investigated in the temperature range from $143\phantom{\rule{0.3em}{0ex}}\text{to}\phantom{\rule{0.3em}{0ex…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsDielectric properties of ceramics

Ab Initio Study of Vibrational Dephasing of Electronic Excitations in Semiconducting Carbon Nanotubes

Bradley F. Habenicht、Hideyuki Kamisaka、Koichi Yamashita 等 4 位作者2007-10-19Nano Letters

Phonon-induced dephasing of electronic transitions in semiconducting single-wall carbon nanotubes (CNT) is investigated by ab initio molecular dynamics. Pure-dephasing is shown to be the source of the photoluminescence linewidths observed experimentally in isolated CNTs at low and room temperatures. In ideal tubes, th…

Carbon Nanotubes in CompositesForce Microscopy Techniques and ApplicationsMechanical and Optical Resonators

Hybrid Molecular Material Exhibiting Single-Molecule Magnet Behavior and Molecular Conductivity

H. Hiraga、Hitoshi Miyasaka、Kazuya Nakata 等 8 位作者2007-10-19Inorganic Chemistry

Two unique materials based on Mn4 single-molecule magnet (SMM) clusters (ST=9) and integer or non-integer average valent platinum maleonitriledithiolate (mnt2-) complexes, [{MnII2MnIII2(hmp)6(MeCN)2}{Pt(mnt)2}2][Pt(mnt)2]2.2MeCN (1) and [{MnII2MnIII2(hmp)6(MeCN)2}{Pt(mnt)2}4][Pt(mnt)2]2 (2), were synthesized by the ma…

Magnetism in coordination complexesPorphyrin and Phthalocyanine ChemistryOrganic and Molecular Conductors Research

Robust Nanoporous Membranes Templated by a Doubly Reactive Block Copolymer

Liang Chen、William A. Phillip、E. L. Cussler 等 4 位作者2007-10-19Journal of the American Chemical Society

We demonstrated a novel approach to produce robust bicontinuous nanoporous polymer membranes by ring-opening metathesis polymerization of a new norbornene-functional diblock copolymer and dicyclopentadiene followed by selective removal of a chemically etchable polylactide block. Polymerization-induced phase separation…

Fuel Cells and Related MaterialsPolymer Surface Interaction StudiesBlock Copolymer Self-Assembly

Self-ordering behavior of nanoporous anodic aluminum oxide (AAO) in malonic acid anodization

W Lee、Kornelius Nielsch、U. Gösele2007-10-19Nanotechnology

The self-ordering behavior of anodic aluminum oxide (AAO) has been investigated for anodization of aluminum in malonic acid (H 4 C 3 O 4 ) solution. In the present study it is found that a porous oxide layer formed on the surface of aluminum can effectively suppress catastrophic local events (such as breakdown of the…

Corrosion Behavior and InhibitionConcrete Corrosion and DurabilityAnodic Oxide Films and Nanostructures

Synthesis and characterization of amphiphilic block copolymers with allyl side‐groups

Xiuli Hu、Xuesi Chen、Zhigang Xie 等 5 位作者2007-10-19Journal of Polymer Science Part A Polymer Chemistry

Abstract The synthesis of a new cyclic carbonate monomer containing an allyl group was reported and its biodegradable amphiphilic block copolymer, poly(ethylene glycol)‐ block ‐poly( L ‐lactide‐ co ‐5‐methyl‐5‐allyloxycarbonyl‐propylene carbonate) [PEG‐ b ‐P(LA‐ co ‐MAC)] was synthesized by ring‐opening polymerization…

Advanced Polymer Synthesis and Characterizationbiodegradable polymer synthesis and propertiesCarbon dioxide utilization in catalysis

Controlled Self-Assembly of Asymmetric Dumbbell-Shaped Rod Amphiphiles: Transition from Toroids to Planar Nets

Eunji Lee、Young‐Hwan Jeong、Jung‐Keun Kim 等 4 位作者2007-10-19Macromolecules

We report here the synthesis and self-assembly of a series of asymmetric dumbbell-shaped rod amphiphiles containing hydrophilic oligoether dendrons at one end and hydrophobic alkyl dendrons at the other end of the stiff rod segment with systematic variation in the length of the hydrophobic alkyl chain ranging from eth…

Polymer Surface Interaction StudiesSupramolecular Self-Assembly in MaterialsDendrimers and Hyperbranched Polymers

Effects of Sb compensation on microstructure, thermoelectric properties and point defect of CoSb3compound

Weishu Liu、Bo‐Ping Zhang、Jing‐Feng Li 等 4 位作者2007-10-19Journal of Physics D Applied Physics

Volatilization of Sb during the fabrication of CoSb3 by mechanical alloying and then spark plasma sintering has been successfully compensated by adding excess Sb. The average grain size increases apparently with excess Sb content, abnormally grown by about 100 times as the excess Sb is up to 4 at.%. A liquid-phase-rel…

Advanced Thermoelectric Materials and DevicesThermal properties of materialsAdvanced Semiconductor Detectors and Materials

Quantum Dot Photon Statistics Measured by Three-Dimensional Particle Tracking

Kevin McHale、Andrew J. Berglund、Hideo Mabuchi2007-10-19Nano Letters

We present an instrument for performing correlation spectroscopy on single fluorescent particles while tracking their Brownian motion in three dimensions using real-time feedback. By tracking CdSe/ZnS quantum dots in water (diffusion coefficient approximately 20 microm2/s), we make the first measurements of photon ant…

Quantum Information and CryptographyQuantum Dots Synthesis And PropertiesNear-Field Optical Microscopy

Electron-electron correlation in graphite

A. Gruneis、C. Attaccalite、T. Pichler 等 15 位作者2007-10-19arXiv

The full three dimensional dispersion of the pi-bands, Fermi velocities and effective masses are measured with angle resolved photoemission spectroscopy and compared to first-principles calculations. The band structure by density-functional theory strongly underestimates the slope of the bands and the trigonal warping…

Materials ScienceStrongly Correlated Electrons

Continuous first order orbital order-disorder transition in Nd1-xCaxMnO3

C. V. Colin、A. J. C. Buurma、M. v. Zimmermann 等 4 位作者2007-10-19arXiv

The nature of the cooperative Jahn-Teller (JT) transition accompanied by orbital order-disorder in Nd1-xCaxMnO3 has been studied by high temperature (300 - 1200K) synchrotron and laboratory X-ray powder diffraction in the low doping region (0

Materials Science

Origin of ferromagnetism in nitrogen embedded ZnO : N thin films

Chang‐Feng Yu、Tzu‐Jen Lin、Shih‐Jye Sun 等 4 位作者2007-10-19Journal of Physics D Applied Physics

Nitrogen embedded ZnO : N films prepared by pulsed laser deposition exhibit significant ferromagnetism. The presence of nitrogen ions contained in ZnO is confirmed by the secondary ion microscopic spectrum and by Raman experiments, and the embedded nitrogen ions can be regarded as defects. According to the experimenta…

ZnO doping and propertiesGa2O3 and related materialsElectronic and Structural Properties of Oxides

Measurement of the dispersion stability of pristine and surface-modified multiwalled carbon nanotubes in various nonpolar and polar solvents

Jeongwoo Lee、Myunghun Kim、Chang Kook Hong 等 4 位作者2007-10-19Measurement Science and Technology

A qualitative and rapid measurement technique based on multiple light scattering was employed to analyze the dispersion stability of black multiwalled carbon nanotube (CNT) suspensions. Pristine and chemically oxidized CNTs were dispersed in various polar and nonpolar solvents. The change in the transmission of near-i…

Carbon Nanotubes in CompositesElectrochemical Analysis and ApplicationsNanopore and Nanochannel Transport Studies

Origin of ferromagnetism inZn1−xCoxOfrom magnetization and spin-dependent magnetoresistance measurements

T. Dietl、T. Andrearczyk、Agnieszka P. Lipinska 等 6 位作者2007-10-19Physical Review B

In order to elucidate the nature of ferromagnetic signatures observed in (Zn,Co)O, we have examined experimentally and theoretically magnetic properties and spin-dependent quantum localization effects that control low-temperature magnetoresistance. Our findings, together with a through structural characterization, sub…

ZnO doping and propertiesMagnetic and transport properties of perovskites and related materialsAdvanced Condensed Matter Physics

Conceptual design and testing strategy of a dual functional lithium–lead test blanket module in ITER and EAST

Yu Wu、the FDS Team2007-10-19Nuclear Fusion

A dual functional lithium–lead (DFLL) test blanket module (TBM) concept has been proposed for testing in the International Thermonuclear Experimental Reactor (ITER) and the Experimental Advanced Superconducting Tokamak (EAST) in China to demonstrate the technologies of the liquid lithium–lead breeder blankets with emp…

Magnetic confinement fusion researchFusion materials and technologiesSuperconducting Materials and Applications

A fretting crack initiation prediction taking into account the surface roughness and the crack nucleation process volume

Henry Proudhon、Siegfried Fouvry、Jean-Yves Buffiere2007-10-19arXiv

This paper presents an experimental study of the fretting crack nucleation threshold, expressed in terms of loading conditions, with a cylinder/plane contact. The studied material is a damage tolerant aluminium alloy widely used in the aerospace application. Since in industrial problems, the surface quality is often v…

Materials Science