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Lattice-dynamical calculation of phonon scattering at ideal Si–Ge interfaces

Hong Jian Zhao、Jonathan B. Freund2004-12-23Journal of Applied Physics

Detailed phonon scattering at an ideal Si–Ge interface is studied with a linear lattice dynamics model. Frequency dependent transmission coefficients indicate the significance of acoustic-optical phonon mode conversion at the interface. Applied to multiple interfaces, the method shows how the overall thermal resistanc…

Advanced Thermoelectric Materials and DevicesThermal properties of materialsThermal Radiation and Cooling Technologies

Dielectric properties of epoxy nanocomposites containing TiO/sub 2/, Al/sub 2/O/sub 3/ and ZnO fillers

J.C. Fothergill、J. K. Nelson、Mingli Fu2004-12-23OpenAlex

This work presents results of dielectric spectroscopy and space charge (PEA) measurements on epoxy resin filled with 10% w/w micro- and nano- sized particles of TiO/sub 2/, Al/sub 3/O/sub 2/ and ZnO. The results appear to show that the material from which the nano-particle is made is not highly significant in influenc…

Polymer Nanocomposites and PropertiesHigh voltage insulation and dielectric phenomenaDielectric materials and actuators

Competing structural instabilities in the ferroelectric Aurivillius compoundSrBi2Ta2O9

J. M. Pérez-Mato、M. I. Aroyo、Alberto Garcı́a 等 7 位作者2004-12-23Physical Review B

The Aurivillius family includes many compounds with ferroelectric phases. Despite sharing the basic perovskite structural block with more common ferroelectric oxides such as $\mathrm{Ba}\mathrm{Ti}{\mathrm{O}}_{3}$ or $\mathrm{Pb}\mathrm{Ti}{\mathrm{O}}_{3}$, their phase-transition behavior is rather more complex. In…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsMicrowave Dielectric Ceramics Synthesis

Magnetic properties of bulk Zn1−xMnxO and Zn1−xCoxO single crystals

Matthew H. Kane、K. Shalini、Christopher J. Summers 等 8 位作者2004-12-23Journal of Applied Physics

Manganese and cobalt-doped ZnO have been produced using a modified melt-growth technique. X-ray diffraction measurements indicate that the samples are high-quality single crystals with ω−2θ full width at half maximum values of 78 arc sec for the undoped ZnO and 252 arc sec for Zn1−xMnxO (x=0.05). The lattice parameter…

ZnO doping and propertiesMagnetic and transport properties of perovskites and related materialsCopper-based nanomaterials and applications

Spontaneous one dimensional arrangement of spherical Au nanoparticles with liquid crystal ligands

Insik In、Young‐wook Jun、Yun Jun Kim 等 4 位作者2004-12-23Chemical Communications

Spontaneous one dimensional arrangements of spherical Au nanoparticles were accomplished by using a liquid crystalline thiol ligand, 4'-(12-mercaptododecyloxy)biphenyl-4-carbonitrile. Simple thermal treatment of Au nanoparticles with the ligands showed 1D ordering of the Au nanoparticles.

Magnetic properties of thin filmsLiquid Crystal Research AdvancementsNanocluster Synthesis and Applications

Multivalent Carbocyanine Molecular Probes: Synthesis and Applications

Yunpeng Ye、Sharon Bloch、Jeffery Kao 等 4 位作者2004-12-23Bioconjugate Chemistry

Synergistic multivalent interactions can amplify desired chemical or biological molecular recognitions. We report a new class of multicarboxylate-containing carbocyanine dye constructs for use as optical scaffolds that not only serve as fluorescent antennas but also participate in structural assembly of the multivalen…

Supramolecular Chemistry and ComplexesLuminescence and Fluorescent MaterialsDendrimers and Hyperbranched Polymers

Photoelasticity of sodium silicate glass from first principles

Davide Donadio、Marco Bernasconi、F. Tassone2004-12-23Physical Review B

Based on density-functional perturbation theory we have computed the photoelastic tensor of a model of sodium silicate glass of composition ${({\mathrm{Na}}_{2}\mathrm{O})}_{0.25}{(\mathrm{Si}{\mathrm{O}}_{2})}_{0.75}$ (NS3). The model (containing 84 atoms) is obtained by quenching from the melt in combined classical…

High-pressure geophysics and materialsGlass properties and applicationsBuilding materials and conservation

Vancomycin Resistance in Enterococci Due to Synthesis of Precursors Terminating in d -Alanyl- d -Serine

Peter E. Reynolds、Patrice Courvalin2004-12-23Antimicrobial Agents and Chemotherapy

the intrinsically glycopeptide-resistant Enterococcus gallinarum, Enterococcus casseliflavus, and Enterococcus flavescens (VanC type) and is present in the VanE and VanG types in which E. faecalis has acquired the genes encoding vancomycin resistance. Some of the enzymes implicated in this second resistance mechanism…

Enzyme Structure and FunctionAmino Acid Enzymes and MetabolismBiopolymer Synthesis and Applications

Phonon scattering and stability of Na_0.5CoO_2

X. N. Zhang、P. Lemmens、V. Gnezdilov 等 8 位作者2004-12-23arXiv

Raman scattering experiments have been performed on Na_xCoO_2 as function of temperature at the composition x=0.5 where a structural instability and a metal-insulator transition have been observed. Three additional phonon modes are observed compared to samples with larger x. An in-situ annealing study (T_max=550 K) wi…

Materials ScienceStrongly Correlated Electrons

Improved pseudobonds for combined ab initio quantum mechanical/molecular mechanical methods

Yingkai Zhang2004-12-23The Journal of Chemical Physics

The pseudobond approach offers a smooth connection at the quantum mechanical/molecular mechanical interface which passes through covalent bonds. It replaces the boundary atom of the environment part with a seven-valence-electron atom to form a pseudobond with the boundary atom of the active part [Y. Zhang, T. S. Lee,…

Advanced Chemical Physics StudiesForce Microscopy Techniques and ApplicationsBoron and Carbon Nanomaterials Research

One-step solution-based catalytic route to fabricate novel α-MnO 2 hierarchical structures on a large scale

Zhengquan Li、Yue Ding、Yujie Xiong 等 5 位作者2004-12-23Chemical Communications

A new type of hierarchical structure, a core-shell structure with spherically aligned nanorods, was prepared via a simple room-temperature solution-based catalytic route in the case of alpha-MnO2.

Supercapacitor Materials and FabricationCatalytic Processes in Materials ScienceNanomaterials for catalytic reactions

Doping and Field-Induced Insulator-Metal Transitions in Half-Doped Manganites

O. Cepas、H. R. Krishnamurthy、T. V. Ramakrishnan2004-12-23arXiv

We argue that many properties of the half-doped manganites may be understood in terms of a new two-(eg electron)-fluid description, which is energetically favorable at intermediate Jahn-Teller (JT) coupling. This emerges from a competition between canting of the core spins of Mn promoting mobile carriers and polaronic…

Materials Science

The role of Cr substitution on the ferromagnetic properties of Ga1−xCrxN

R. K. Singh、Stephen Y. Wu、H. X. Liu 等 6 位作者2004-12-23Applied Physics Letters

Angular-dependent channeling Rutherford backscattering spectroscopy (c-RBS) has been used to quantify the fraction of Cr atoms on substitutional, interstitial, and random sites in epitaxial Ga1−xCrxN films grown by reactive molecular-beam epitaxy. The morphology of these films and correlation with their magnetic prope…

ZnO doping and propertiesMetal and Thin Film MechanicsGa2O3 and related materials

Single-Molecule Optoelectronics

Taehee Lee、José Ignacio Rodríguez González、Jie Zheng 等 4 位作者2004-12-23Accounts of Chemical Research

With discrete states, several-atom Ag(n) nanoclusters exhibit molecule-like behavior with strong visible fluorescence and robust optical properties. This new class of single-molecule fluorophores has been created and electrically contacted in thin films to produce the first electroluminescent single molecules. A direc…

Quantum Dots Synthesis And PropertiesMolecular Junctions and NanostructuresNanocluster Synthesis and Applications

Ab initio prediction of a multiferroic with large polarization and magnetization

Pio Baettig、Nicola A. Spaldin2004-12-23Applied Physics Letters

We describe the design of a magnetic ferroelectric with large spontaneous magnetization and polarization using first-principles density functional theory. The usual difficulties associated with the production of robustly insulating ferromagnets are circumvented by incorporating the magnetism through ferrimagnetic beha…

Ferroelectric and Piezoelectric MaterialsMagnetic and transport properties of perovskites and related materialsMultiferroics and related materials

The modular architecture of protein–protein binding interfaces

Dana Reichmann、Ofer Rahat、Shira Albeck 等 6 位作者2004-12-23Proceedings of the National Academy of Sciences

Protein-protein interactions are essential for life. Yet, our understanding of the general principles governing binding is not complete. In the present study, we show that the interface between proteins is built in a modular fashion; each module is comprised of a number of closely interacting residues, with few intera…

Protein Structure and DynamicsEnzyme Structure and FunctionEnzyme Production and Characterization

Macroscopic-Wetting Anisotropy on the Line-Patterned Surface of Fluoroalkylsilane Monolayers

Masamichi Morita、Tomoyuki Koga、Hideyuki Otsuka 等 4 位作者2004-12-23Langmuir

Micropatterned fluoroalkylsilane monolayer surfaces with liquidphilic/liquidphobic area (line width 1-20 microm) were prepared with few defects by vacuum ultraviolet (VUV) photolithography. The anisotropic wetting of a macroscopic droplet with a 0.5-5 mm diameter on the micropatterned surfaces was investigated. The st…

Surface Modification and SuperhydrophobicityMolecular Junctions and NanostructuresAdhesion, Friction, and Surface Interactions

Peroxotungstate Immobilized on Ionic Liquid-Modified Silica as a Heterogeneous Epoxidation Catalyst with Hydrogen Peroxide

Kazuya Yamaguchi、Chie Yoshida、Sayaka Uchida 等 4 位作者2004-12-23Journal of the American Chemical Society

Peroxotungstate immobilized on ionic liquid-modified SiO2 is capable of heterogeneously epoxidizing a wide range of olefins with the maintenance of the catalytic activity of homogeneous analogue. The epoxidation was immediately stopped by the removal of the catalyst, and no tungsten species could be found in the filtr…

Polyoxometalates: Synthesis and ApplicationsChemical Synthesis and ReactionsOxidative Organic Chemistry Reactions

Single-Crystalline Vanadium Dioxide Nanowires with Rectangular Cross Sections

Beth S. Guiton、Qian Gu、Amy L. Prieto 等 5 位作者2004-12-23OpenAlex

We report the synthesis of single-crystalline VO2 nanowires with rectangular cross sections using a vapor transport method. These nanowires have typical diameters of 60 (+/-30) nm and lengths up to >10 mum. Electron microscopy and diffraction measurements show that the VO2 nanowires are single crystalline and exhibit…

ZnO doping and propertiesGas Sensing Nanomaterials and SensorsTransition Metal Oxide Nanomaterials