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Molecular adsorption of NO on NiO(100): DFT andDFT+Ucalculations

Alexander Rohrbach、J. Häfner2005-01-07Physical Review B

Following our former study of the $\mathrm{C}\mathrm{O}∕\mathrm{Ni}\mathrm{O}(100)$ system [Phys. Rev. B 69, 075413 (2004)], we have investigated the geometrical, electronic, and magnetic properties of NO adsorbed on NiO(100) to further elucidate the role of strong electron correlations in the substrate on the chemiso…

Advanced Chemical Physics StudiesZnO doping and propertiesCatalytic Processes in Materials Science

Clay Delamination in Clay/Poly(Dicyclopentadiene) Nanocomposites Quantified by Small Angle Neutron Scattering and High-Resolution Transmission Electron Microscopy

Mitra Yoonessi、Hossien Toghiani、T. L. Daulton 等 5 位作者2005-01-07Macromolecules

Highly delaminated clay/poly(dicyclopentadiene) nanocomposites were prepared by in-situ, ring-opening metathesis polymerization of presonicated mixtures of the liquid dicyclopentadiene (DCPD) and organically modified Montmorillonite clays. Three nanocomposite series (using Montmorillonites: I-28, I-44pa) of increasing…

Polymer Nanocomposites and PropertiesSynthetic Organic Chemistry MethodsTribology and Wear Analysis

Structural characterization and mass transfer properties of segmented polyurethane: influence of block length of hydrophilic segments

Jinlian Hu、Subrata Mondal2005-01-07Polymer International

Abstract An attempt has been made to investigate the effect of the block length of hydrophilic segments on the structure and mass transfer properties of segmented polyurethane (HSPU). Three different block lengths of hydrophilic poly(ethylene glycol) (PEG) segments were used, namely PEG‐200, PEG‐2000 and PEG‐3400, whe…

Advanced Polymer Synthesis and CharacterizationPolymer Nanocomposites and PropertiesPolymer composites and self-healing

Effect of dislocation density evolution on the thermomechanical response of metals with different crystal structures at low and high strain rates and temperatures

George Z. Voyiadjis、Farid Abed2005-01-07Archives of Mechanics

The contribution of plastic strain evolution of mobile and forest dislocation densities to the thermal and athermal components of polycrystalline metals flow stress is investigated in this work. The thermomechanical response is characterized here for body centered cubic (bcc), face centered cubic (fcc) and hexagonal c…

Microstructure and mechanical propertiesMetal and Thin Film MechanicsHigh-Velocity Impact and Material Behavior

Shear stress inhibits smooth muscle cell migration via nitric oxide-mediated downregulation of matrix metalloproteinase-2 activity

Jeffrey S. Garanich、Manolis Y. Pahakis、John M. Tarbell2005-01-07American Journal of Physiology-Heart and Circulatory Physiology

Vascular smooth muscle cell (SMC) migration is a hallmark of intimal hyperplasia (IH), the progression of which is affected by hemodynamic conditions at the diseased site. The realization that SMCs are exposed to blood flow in both denuded vessels (direct blood flow) and intact vessels (interstitial blood flow) motiva…

Protease and Inhibitor MechanismsElectrospun Nanofibers in Biomedical ApplicationsSignaling Pathways in Disease

Precursor-Induced Hydrothermal Synthesis of Flowerlike Cupped-End Microrod Bundles of ZnO

Changlong Jiang、Wangqun Zhang、Guifu Zou 等 5 位作者2005-01-07The Journal of Physical Chemistry B

Flowerlike cupped-end ZnO microrod bundles have been hydrothermally synthesized from precursor ZnCl2(N2H4)2 in sheet shape at 140 degrees C for 12 h; under the same conditions using the same precursor in rod shape, uniform ZnO nanorods were obtained. XRD pattern indicated the sample is ZnO with hexagonal cell contants…

ZnO doping and propertiesGas Sensing Nanomaterials and SensorsCopper-based nanomaterials and applications

The Structural and Dynamic Basis of Ets-1 DNA Binding Autoinhibition

Gregory M. Lee、Logan W. Donaldson、Miles A. Pufall 等 7 位作者2005-01-07Journal of Biological Chemistry

The transcription factor Ets-1 is regulated by the allosteric coupling of DNA binding with the unfolding of an alpha-helix (HI-1) within an autoinhibitory module. To understand the structural and dynamic basis for this autoinhibition, we have used NMR spectroscopy to characterize Ets-1DeltaN301, a partially inhibited…

Protein Structure and DynamicsHeat shock proteins researchEnzyme Structure and Function

Temperature dependence of the dielectric tunability of pyrochlore bismuth zinc niobate thin films

A. K. Tagantsev、Jiwei Lu、Susanne Stemmer2005-01-07Applied Physics Letters

The change in permittivity of bismuth zinc niobate (BZN) films with the cubic pyrochlore structure under an applied electric field was measured as a function of temperature. Dielectric measurements were performed using parallel-plate capacitor structures with Pt electrodes on sapphire substrates. The electric field tu…

Ferroelectric and Piezoelectric MaterialsMicrowave Dielectric Ceramics SynthesisNuclear materials and radiation effects

High sensitivity of positive magnetoresistance in low magnetic field in perovskite oxide p–n junctions

Hui Lu、Songyuan Dai、Z. H. Chen 等 9 位作者2005-01-07Applied Physics Letters

Large positive magnetoresistance (MR) and high MR sensitivity in low magnetic fields have been discovered in the Sr-doped LaMnO3 and Nb-doped SrTiO3 p–n junctions fabricated by laser molecular-beam epitaxy. The MR ratios, defined as ΔR∕R0, ΔR=RH−R0, are observed as large as 11% in 5Oe, 23% in 100Oe, and 26% in 1000Oe…

Magnetic and transport properties of perovskites and related materialsAdvanced Condensed Matter PhysicsElectronic and Structural Properties of Oxides

Magnetic Deformation of Self-Assembled Sexithiophene Spherical Nanocapsules

I.O. Shklyarevskiy、Pascal Jonkheijm、Peter C. M. Christianen 等 11 位作者2005-01-07Journal of the American Chemical Society

We report the experimental observation of magnetic field deformation of spherical nanocapsules, self-assembled from sexithiophene molecules, into oblate spheroids, confirming a long-standing theoretical prediction. The magnetically deformed objects can be trapped in a compatible organogel to make them suitable for fur…

Liquid Crystal Research AdvancementsPhotonic Crystals and ApplicationsAdvanced Materials and Mechanics

Photophysics and Solvent-Induced Aggregation of 2,7-Carbazole-Based Conjugated Polymers

Michel Belletête、Jimmy Bouchard、Mario Leclerc 等 4 位作者2005-01-07Macromolecules

We report on the optical, photophysical, and solvatochromic properties of five carbazole-based polymers, namely poly( N -octyl-2,7-carbazolediyl) (POC), poly( N -(2‘-ethylhexyl)-2,7-carbazolediyl) (PEHC), poly( N -octyl-2,7-carbazolediyl- alt -2,5-thiophene) (POCT), poly( N -(2‘-ethylhexyl)-2,7-carbazolediyl- alt -2,5…

Organic Electronics and PhotovoltaicsConducting polymers and applicationsLuminescence and Fluorescent Materials

The proper structure of cubic ice confined in mesopores

Kunimitsu Morishige、Hiroaki Uematsu2005-01-07The Journal of Chemical Physics

To examine the reason for the formation and the structure of cubic ice in a restricted space, we measured the powder x-ray diffraction patterns of cubic ice formed within the mesopores of porous silicas as a function of pore size (4-70 nm). The results strongly suggest that cubic ice formed in the mesopores does not t…

Zeolite Catalysis and SynthesisMesoporous Materials and CatalysisClay minerals and soil interactions

Surface‐ and Resonance‐Enhanced Micro‐Raman Spectroscopy of Xanthene Dyes: From the Ensemble to Single Molecules

Tim Vosgröne、A. J. Meixner2005-01-07ChemPhysChem

Surface-enhanced resonance Raman scattering (SERRS) spectra of various rhodamine dyes, of pyronine G and thiopyronine adsorbed on isolated silver clusters were recorded at the ensemble level and at the single-molecule level with a high-resolution confocal laser microscope equipped with a spectrograph and a CCD-detecto…

Gold and Silver Nanoparticles Synthesis and ApplicationsProtein Interaction Studies and Fluorescence AnalysisNanocluster Synthesis and Applications

Energetics and Structural Consequences of Axial Ligand Coordination in Nonplanar Nickel Porphyrins

Yujiang Song、Raid Haddad、Song‐Ling Jia 等 15 位作者2005-01-07Journal of the American Chemical Society

The effects of ruffling on the axial ligation properties of a series of nickel(II) tetra(alkyl)porphyrins have been investigated with UV-visible absorption spectroscopy, resonance Raman spectroscopy, X-ray crystallography, classical molecular mechanics calculations, and normal-coordinate structural decomposition analy…

Photosynthetic Processes and MechanismsPorphyrin and Phthalocyanine ChemistryMetal-Catalyzed Oxygenation Mechanisms

Growth of ZnO∕MgZnO quantum wells on sapphire substrates and observation of the two-dimensional confinement effect

B. P. Zhang、N.T. Binh、K. Wakatsuki 等 6 位作者2005-01-07Applied Physics Letters

Zn O ∕ Mg Zn O single quantum wells (QWs) in which the well width changes continuously were grown on sapphire (112¯0) substrates by metalorganic chemical vapor deposition. Photoluminescence (PL) measurement revealed two emission peaks: one is position dependent and the other is not. Polarized PL spectra obtained from…

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

Structural Characterization of Single-Walled Carbon Nanotube Bundles by Experiment and Molecular Simulation

Sandeep Agnihotri、José P. B. Mota、Massoud Rostam‐Abadi 等 4 位作者2005-01-07Langmuir

A procedure, combining molecular simulation, Raman spectroscopy, and standard nitrogen adsorption, is developed for structural characterization of single-walled carbon nanotube (SWNT) samples. Grand canonical Monte Carlo simulations of nitrogen adsorption are performed on the external and internal adsorption sites of…

Carbon Nanotubes in CompositesGraphene research and applicationsNanopore and Nanochannel Transport Studies

Liquid Crystalline Networks Composed of Pentagonal, Square, and Triangular Cylinders

Bin Chen、Xiangbing Zeng、Ute Baumeister 等 5 位作者2005-01-07Science

T-shaped molecules are designed in such a way that they self-organize into nanoscale liquid crystalline honeycombs based on polygons with any chosen number of sides. One of the phases reported here is a periodic organization of identical pentagonal cylinders; the other one is a structure composed of square-shaped and…

Liquid Crystal Research AdvancementsTheoretical and Computational PhysicsAdvanced Materials and Mechanics

Comparison of density functionals for energy and structural differences between the high- [5T2g:(t2g)4(eg)2] and low- [1A1g:(t2g)6(eg)] spin states of iron(II) coordination compounds. II. More functionals and the hexaminoferrous cation, [Fe(NH3)6]2+

Antony Fouqueau、Mark E. Casida、Latévi Max Lawson Daku 等 5 位作者2005-01-07The Journal of Chemical Physics

The ability of different density functionals to describe the structural and energy differences between the high- [(5)T(2g):(t(2g))(4)(e(g))(2)] and low- [(1)A(1g):(t(2g))(6)(e(g))(0)] spin states of small octahedral ferrous compounds is studied. This work is an extension of our previous study of the hexaquoferrous cat…

Metal-Organic Frameworks: Synthesis and ApplicationsMagnetism in coordination complexesLanthanide and Transition Metal Complexes

Imaging a Single-Electron Quantum Dot

Parisa Fallahi、Ania C. Bleszynski、Robert M. Westervelt 等 8 位作者2005-01-07arXiv

Images of a single-electron quantum dot were obtained in the Coulomb blockade regime at liquid He temperatures using a cooled scanning probe microscope (SPM). The charged SPM tip shifts the lowest energy level in the dot and creates a ring in the image corresponding to a peak in the Coulomb-blockade conductance. Fits…

Mesoscale and Nanoscale PhysicsMaterials Science

The influence of rf power and oxygen flow rate during deposition on the optical transmittance of copper oxide thin films prepared by reactive magnetron sputtering

A. A. Ogwu、E. Bouquerel、O. Ademosu 等 6 位作者2005-01-07Journal of Physics D Applied Physics

The influence of rf power and oxygen flow rate during deposition on the optical transmittance of copper oxide thin films prepared by reactive magnetron sputtering, Ogwu, A A, Bouquerel, E, Ademosu, O, Moh, S, Crossan, E, Placido, F

ZnO doping and propertiesChalcogenide Semiconductor Thin FilmsCopper-based nanomaterials and applications