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Effect of Ag-Doping on the Catalytic Activity of Polymer-Stabilized Au Clusters in Aerobic Oxidation of Alcohol

Nirmalya K. Chaki、Hironori Tsunoyama、Yuichi Negishi 等 5 位作者2007-03-09The Journal of Physical Chemistry C

High Resolution Image Download MS PowerPoint Slide A set of nearly monodisperse Au−Ag alloy clusters (size range 1.6−2.2 nm) with various Ag content (5−30%) was prepared by the co-reduction method in the presence of poly( N -vinyl-2-pyrrolidone) (PVP). The catalytic activities of the Au−Ag:PVP clusters were investigat…

Nanocluster Synthesis and ApplicationsCatalytic Processes in Materials ScienceCatalysis and Oxidation Reactions

Phonons in honeycomb and auxetic two-dimensional lattices

A. Sparavigna2007-03-09arXiv

The modes of vibrations in honeycomb and auxetic structures are studied, with models in which the lattice is represented by a planar network where sites are connected by strings and rigid rods. The auxetic network is obtained modifying a model proposed by Evans et al. in 1991, and used to explain the negative Poisson'…

Materials Science

Rheology and Contact Lifetime Distribution in Dense Granular Flows

Leonardo E. Silbert、Gary S. Grest、Robert Brewster 等 4 位作者2007-03-09arXiv

We study the rheology and distribution of interparticle contact lifetimes for gravity-driven, dense granular flows of non-cohesive particles down an inclined plane using large-scale, three dimensional, granular dynamics simulations. Rather than observing a large number of long-lived contacts as might be expected for d…

Soft Condensed MatterMaterials Science

Parallel Self-Consistent-Field Calculations via Chebyshev-Filtered Subspace Acceleration

Yunkai Zhou、Yousef Saad、Murilo L. Tiago 等 4 位作者2007-03-09arXiv

Solving the Kohn-Sham eigenvalue problem constitutes the most computationally expensive part in self-consistent density functional theory (DFT) calculations. In a previous paper, we have proposed a nonlinear Chebyshev-filtered subspace iteration method, which avoids computing explicit eigenvectors except at the first…

Materials Science

Structural Growth Sequences and Electronic Properties of Zinc Oxide Clusters (ZnO)n (n=2-18)

Baolin Wang、Shigeru Nagase、Jijun Zhao 等 4 位作者2007-03-09The Journal of Physical Chemistry C

The structural and electronic properties of (ZnO) n ( n = 2−18) clusters are studied using gradient-corrected density-functional theory (DFT). The starting structures are generated from empirical genetic algorithm simulations or handmade constructions with chemical intuition. The lowest-energy structures of (ZnO) n ar…

Gas Sensing Nanomaterials and SensorsCopper-based nanomaterials and applicationsZnO doping and properties

Nanometer-Scale Materials Contrast Imaging with a Near-Field Microwave Microscope

Atif Imtiaz、Steven M. Anlage、John D. Barry 等 4 位作者2007-03-09arXiv

We report topography-free materials contrast imaging on a nano-fabricated Boron-doped Silicon sample measured with a Near-field Scanning Microwave Microscope over a broad frequency range. The Boron doping was performed using the Focus Ion Beam technique on a Silicon wafer with nominal resistivity of 61 Ohm.cm. A topog…

cond-mat.otherMaterials Science

First-principles calculation of the spin-orbit splitting in graphene

J. C. Boettger、S. B. Trickey2007-03-09Physical Review B

Recent success in making macroscopic graphene samples has stimulated interest in possible unusual electron physics near the Brillouin zone (BZ) vertex $K$, notably the prediction of a spin quantum Hall effect. Observability depends critically on the size of the spin-orbit gap ${\ensuremath{\Delta}}_{\mathit{SO}}$ at $…

Topological Materials and PhenomenaQuantum and electron transport phenomenaGraphene research and applications

Exciton and antisite defect‐related luminescence in Lu3Al5O12 and Y3Al5O12 garnets

Yu. Zorenko、A. Voloshinovskiĭ、V. Savchyn 等 9 位作者2007-03-09physica status solidi (b)

Abstract Intrinsic emission of complex oxides with garnet structure was studied by means of the analyses of the time‐resolved luminescence spectra and decay kinetic for single crystals (SC) and single‐crystalline films (SCF) of Y 3 Al 5 O 12 (YAG) and Lu 3 Al 5 O 12 (LuAG) garnets under excitation by the pulse X‐ray a…

Solid State Laser TechnologiesLuminescence Properties of Advanced MaterialsRadiation Detection and Scintillator Technologies

From Copper Nanocrystalline to CuO Nanoneedle Array: Synthesis, Growth Mechanism, and Properties

Yueli Liu、Lei Liao、Jinchai Li 等 4 位作者2007-03-09The Journal of Physical Chemistry C

In the present work, a novel method for synthesizing a one-dimensional CuO nanoneedle array was introduced; that is, first, a pure copper nanocrystalline layer was plated by using a periodic reverse pulse plating process, and then the CuO nanoneedle array grew upon the layer through thermal oxidation in the air. The n…

Electronic and Structural Properties of OxidesCopper-based nanomaterials and applicationsZnO doping and properties

Quadratic invariants of elastic moduli

Andrew N. Norris2007-03-09arXiv

A quadratic invariant is defined as a quadratic form in the elements of a tensor that remains invariant under a group of coordinate transformations. It is proved that there are 7 quadratic invariants of the 21-element elastic modulus tensor under SO(3) and 35 under SO(2). This answers some open questions raised by Tin…

Materials Science

Crystal structure, magnetism, and bonding of the hexagonal compounds Pd$_{1.63}$Mn$_{0.37}$Si and Pd$_{1.82}$Mn$_{0.18}$Ge related to the Fe$_2$P structure

Srinivasa Thimmaiah、Claudia Felser、Ram Seshadri2007-03-09arXiv

We have used single crystal X-ray diffraction methods to establish the crystal structures of a compound in the Pd-Mn-Si system and in the Pd-Mn-Ge system. The title compounds have structures related to the Fe$_2$P structure type and are ferromagnetic with Curie temperatures above the room temperature. Density function…

Materials Science

Symmetry of Multiferroicity in a Frustrated Magnet TbMn$_2$O$_5$

J. Okamoto、D. J. Huang、C. -Y. Mou 等 8 位作者2007-03-09arXiv

Based on measurements of soft x-ray magnetic scattering and symmetry considerations, we demonstrate that the magnetoelectric effect in TbMn$_2$O$_5$ arises from an internal field determined by $\vec{S}_{\vec{q}} \times {\vec{S}_{-\vec{q}}}$ with $\vec{S}_{\vec{q}}$ being the magnetization at modulation vector $\vec{q}…

Materials ScienceStrongly Correlated Electrons

Phase Transition in a Two-level-cavity System in an Ohmic Environment

Chang-Qin Wu、Jian-Xin Li、Dung-Hai Lee2007-03-09arXiv

We propose that in the presence of an Ohmic, de-phasing type environment, a two-level-cavity system undergoes a quantum phase transition from a state with damped Rabi oscillation to a state without. We present the phase diagram and make predictions for pump and probe experiment. Such a strong coupling effect of the en…

Strongly Correlated ElectronsMaterials Science

DNA double helices for single molecule electronics

A. V. Malyshev2007-03-09arXiv

The combination of self-assembly and electronic properties as well as its true nanoscale dimensions make DNA a promising candidate for a building block of single molecule electronics. We argue that the intrinsic double helix conformation of the DNA strands provides a possibility to drive the electric current through t…

Mesoscale and Nanoscale PhysicsMaterials Science

“Ideal” Engineering Alloys

Tianshu Li、J. W. Morris、Naoyuki Nagasako 等 5 位作者2007-03-09Physical Review Letters

A newly discovered group of alloys, called Gum Metals, approaches ideal strength in bulk form, exhibits significant plastic deformation prior to failure, and shows no indications of conventional-dislocation activity. Two conditions must be met for a material to exhibit this "ideal" behavior: (1) the stress required to…

Advanced materials and compositesTitanium Alloys Microstructure and PropertiesMicrostructure and mechanical properties

Y2O3 : Eu3+ Microspheres: Solvothermal Synthesis and Luminescence Properties

Jun Yang、Zewei Quan、Deyan Kong 等 5 位作者2007-03-09Crystal Growth & Design

Y 2 O 3: Eu 3+ microspheres, with an average diameter of 3 μm, were successfully prepared through a large-scale and facile solvothermal method followed by a subsequent heat treatment. X-ray diffraction, Fourier transform infrared spectroscopy, energy-dispersive X-ray spectra, thermogravimetric and differential thermal…

Gas Sensing Nanomaterials and SensorsLuminescence Properties of Advanced MaterialsQuantum Dots Synthesis And Properties

Magnetische Molekülverbindungen: Schaltung magnetischer Eigenschaften durch externe Stimuli

Osamu Sato、Jun Tao、Yuan-Zhu Zhang2007-03-09Angewandte Chemie

Abstract Man kennt eine Vielzahl magnetischer Materialien, deren magnetische Eigenschaften durch externe Stimuli geschaltet werden können. Das Hauptaugenmerk liegt auf der thermischen, photochemischen, elektrochemischen und chemischen Steuerung von Phasenübergängen, die mit einem Wechsel der Magnetisierung einhergehen…

Organometallic Complex Synthesis and CatalysisLanthanide and Transition Metal ComplexesMagnetism in coordination complexes

Nanocrystalline Nickel Ferrite, NiFe2O4: Mechanosynthesis, Nonequilibrium Cation Distribution, Canted Spin Arrangement, and Magnetic Behavior

V. Šepelák、Ingo Bergmann、Armin Feldhoff 等 9 位作者2007-03-09OpenAlex

Nickel ferrite (NiFe 2 O 4 ) nanoparticles with an average crystallite size of about 8.6 nm were prepared by mechanochemical synthesis (mechanosynthesis). In-field Mössbauer spectroscopy and high-resolution TEM studies revealed a nonuniform structure of mechanosynthesized NiFe 2 O 4 nanoparticles consisting of an orde…

Magnetic Properties and Synthesis of FerritesMagnetic properties of thin filmsMagneto-Optical Properties and Applications

Control of Magnetic Properties through External Stimuli

Osamu Sato、Jun Tao、Yuan-Zhu Zhang2007-03-09OpenAlex

The magnetic properties of many magnetic materials can be controlled by external stimuli. The principal focus here is on the thermal, photochemical, electrochemical, and chemical control of phase transitions that involve changes in magnetization. The molecular compounds described herein range from metal complexes, thr…

Organic and Molecular Conductors ResearchLanthanide and Transition Metal ComplexesMagnetism in coordination complexes

Comprehensive Handbook of Chemical Bond Energies

Yu‐Ran Luo2007-03-09OpenAlex

Understanding the energy it takes to build or break chemical bonds is essential for scientists and engineers in a wide range of innovative fields, including catalysis, nanomaterials, bioengineering, environmental chemistry, and space science. Reflecting the frequent additions and updates of bond dissociation energy (B…

Metallurgical and Alloy ProcessesAdvanced Physical and Chemical Molecular InteractionsInorganic and Organometallic Chemistry