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Trends in elasticity and electronic structure of 5d transition metal diborides: first-principles calculations

Xianfeng Hao、Zhijian Wu、Yuanhui Xu 等 6 位作者2007-04-19Journal of Physics Condensed Matter

We investigate the cohesive energy, heat of formation, elastic constant and electronic band structure of transition metal diborides TMB 2 (TM = Hf, Ta, W, Re, Os and Ir, Pt) in the Pmmn space group using the ab initio pseudopotential total energy method. Our calculations indicate that there is a relationship between e…

Metal and Thin Film MechanicsBoron and Carbon Nanomaterials ResearchMXene and MAX Phase Materials

Ordered Three‐Dimensional Arrays of Monodispersed Mn3O4 Nanoparticles with a Core–Shell Structure and Spin‐Glass Behavior

Feng Jiao、Andrew Harrison、Peter G. Bruce2007-04-19Angewandte Chemie International Edition

Don't forget your coat! Monodispersed Mn3O4 nanoparticles, each encased in a thin shell of MnO2, have been prepared for the first time. Ordered three-dimensional arrays of cubic symmetry were formed by self-assembly (see transmission electron microscope image). The nanoparticles exhibit strong interactions between the…

ZnO doping and propertiesQuantum Dots Synthesis And PropertiesCopper-based nanomaterials and applications

Role of the Oriented Attachment Mechanism in the Phase Transformation of Oxide Nanocrystals

Cauê Ribeiro、C. Vila、José Milton Elias de Matos 等 6 位作者2007-04-19Chemistry - A European Journal

"Bottom-up" methods to obtain nanocrystals usually result in metastable phases, even in processes carried out at room temperature or under soft annealing conditions. However, stable phases, often associated with anisotropic shapes, are obtained in only a few special cases. In this paper we report on the synthesis of t…

Quantum Dots Synthesis And PropertiesCopper-based nanomaterials and applicationsElectronic and Structural Properties of Oxides

Reentrant Orbital Order and the True Ground State ofLaSr2Mn2O7

Qing’an Li、K. E. Gray、Hao Zheng 等 10 位作者2007-04-19Physical Review Letters

Contrary to conventional wisdom, our purified La 2-2x Sr 1+2x Mn2O7 crystals exhibit CE-type orbital and charge order as the low-temperature ground state for a hole doping level h=0.5. For small deviations from h=0.5, the high-temperature CE phase is replaced at low temperatures by an A-type antiferromagnet without co…

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

Phase transition associated with the variation of oxygen vacancy/ion distribution in the oxide‐ion conductor La2Mo2–xWxO9

Di Li、X. P. Wang、Q.F. Fang 等 6 位作者2007-04-19physica status solidi (a)

Abstract The effects of tungsten doping in La 2 Mo 2– x W x O 9 samples ( x = 0, 0.1, 0.25, 0.5, 0.75, 1.0, 1.2, 1.4) were studied using dielectric relaxation measurements. Additional to the low‐temperature relaxation peak P d associated with oxygen ion diffusion, a new dielectric loss peak P h was observed around 740…

Advancements in Solid Oxide Fuel CellsMagnetic and transport properties of perovskites and related materialsElectronic and Structural Properties of Oxides

Controlled Synthesis and Characterization of Poly[ethylene‐block‐(L,L‐lactide)]s by Combining Catalytic Ethylene Oligomerization with “Coordination‐Insertion” Ring‐Opening Polymerization

Jochen O. Ring、Ralf Thomann、Rolf Mülhaupt 等 6 位作者2007-04-19Macromolecular Chemistry and Physics

Abstract Model poly[ethylene‐ block ‐( L , L ‐lactide)] (PE‐ block ‐PLA) block copolymers were successfully synthesized by combining metallocene catalyzed ethylene oligomerization with ring‐opening polymerization (ROP) of L , L ‐lactide (LA). Hydroxy‐terminated polyethylene (PE‐OH) macroinitiator was prepared by means…

Organometallic Complex Synthesis and Catalysisbiodegradable polymer synthesis and propertiesSynthetic Organic Chemistry Methods

Toward the Computational Design of Diastereomeric Resolving Agents: An Experimental and Computational Study of 1-Phenylethylammonium-2-phenylacetate Derivatives

P.G. Karamertzanis、P. Anandamanoharan、Philippe Fernandes 等 8 位作者2007-04-19The Journal of Physical Chemistry B

The crystal structures, including two new polymorphs, of three diastereomerically related salt pairs formed by (R)-1-phenylethylammonium (1) with (S&R)-2-phenylpropanoate (2), (S&R)-2-phenylbutyrate (3), and (S&R)-mandelate (4) ions were characterized by low-temperature single crystal or powder X-ray diffraction. Ther…

Crystallography and molecular interactionsAnalytical Chemistry and ChromatographyCrystallization and Solubility Studies

Large‐Area 3D Nanostructures with Octagonal Quasicrystalline Symmetry via Phase‐Mask Lithography

Ion Bita、Taeyi Choi、Michael Walsh 等 5 位作者2007-04-19Advanced Materials

3D nanostructured quasicrystalline materials significantly larger than feasible with previously reported techniques are produced. 2D quasiperiodic surface relief templates with 8mm point group symmetry are made by multiple-exposure interference lithography. Phase-mask lithography with corresponding PDMS masks produce…

Photonic Crystals and ApplicationsQuasicrystal Structures and PropertiesMineralogy and Gemology Studies

Multiple Reversible Protonation of Polyoxoanion Surfaces: Direct Observation of Dynamic Structural Effects from Proton Transfer

Xikui Fang、Craig L. Hill2007-04-19Angewandte Chemie International Edition

Back and forth: The two complexes [{P2W15O54(H2O)2}2Zr]12− and [{P2W15O54(H2O)2}Zr{P2W17O61}]14− exhibit extensive dynamic structural changes induced by completely reversible multiple protonation behavior, comparable to the flexing of a muscle (see picture). The pH titration of the former complex indicates a two-step…

Metal-Organic Frameworks: Synthesis and ApplicationsPolyoxometalates: Synthesis and ApplicationsAdvanced Nanomaterials in Catalysis

Gated Photochromism of 1,2-Diarylethenes

Joël Kühni、Peter Belser2007-04-19Organic Letters

A dithienylethene derivative containing a cyclobutene-1,2-dione skeleton does not exhibit photochromic properties. However, when both ketone functions are protected with cyclic acetal groups, photochromic behavior is observed.

Olfactory and Sensory Function StudiesPhotochromic and Fluorescence ChemistryPhotoreceptor and optogenetics research

Ab Initio Analysis of the Structural Properties of Alkyl-Substituted Polyhedral Oligomeric Silsesquioxanes

Hung-Chih Li、Cheng-Ying Lee、Clare McCabe 等 5 位作者2007-04-19The Journal of Physical Chemistry A

Ab initio quantum mechanical calculations have been performed to establish the potentials for alkyl-substituted polyhedral oligomeric silsesquioxane (POSS) monomers RxH8-x(SiO1.5)8. More specifically, we have examined the unsubstituted POSS (SiO1.5H)8 cage as well as linear and cyclic alkyl-substituted cages where one…

Astro and Planetary ScienceMetal and Thin Film MechanicsSilicone and Siloxane Chemistry

Effects of film thickness and preferred orientation on the dielectric properties of (Bi1.5Zn0.5)(Zn0.5Nb1.5)O7films

L Z Cao、Wangyang Fu、S F Wang 等 9 位作者2007-04-19Journal of Physics D Applied Physics

(Bi 1.5 Zn 0.5 )(Zn 0.5 Nb 1.5 )O 7 (BZN) films with different thicknesses and preferred orientations have been fabricated on Nb doped SrTiO 3 substrates by pulsed laser deposition. As the thickness increases, the permittivity increases, and the dielectric loss decreases, while the tunability only has a little variati…

Ferroelectric and Piezoelectric MaterialsMicrowave Dielectric Ceramics SynthesisNuclear materials and radiation effects

The Tautomeric Half-reaction of BphD, a C-C Bond Hydrolase

Geoff P. Horsman、Shiva Bhowmik、Stephen Y. K. Seah 等 6 位作者2007-04-19Journal of Biological Chemistry

BphD of Burkholderia xenovorans LB400 catalyzes an unusual C-C bond hydrolysis of 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid (HOPDA) to afford benzoic acid and 2-hydroxy-2,4-pentadienoic acid (HPD). An enol-keto tautomerization has been proposed to precede hydrolysis via a gem-diol intermediate. The role of the can…

Enzyme Catalysis and ImmobilizationEnzyme Structure and FunctionChemical Reactions and Isotopes

Zn0.8Mg0.2O-based metal–semiconductor–metal photodiodes on quartz for visible-blind ultraviolet detection

K W Liu、J Y Zhang、J G 等 10 位作者2007-04-19Journal of Physics D Applied Physics

Zn 0.8 Mg 0.2 O metal–semiconductor–metal ultraviolet photodiodes were fabricated on quartz by radio frequency magnetron sputtering. Dark current, spectral responsivity and pulse response experiments were carried out for the device. The photodetectors showed a peak responsivity at 330 nm. The ultraviolet-visible rejec…

ZnO doping and propertiesGas Sensing Nanomaterials and SensorsGa2O3 and related materials

Modification of Spin Crossover Behavior through Solvent Assisted Formation and Solvent Inclusion in a Triply Interpenetrating Three-Dimensional Network

M. Bartel、A. Absmeier、Guy N. L. Jameson 等 11 位作者2007-04-19Inorganic Chemistry

The 3D coordination polymer [Fe(4ditz)3](PF6)2.solv consists of three interpenetrating infinite networks. There are cavities between iron atoms of different networks, which are partly filled with solvent molecules. With a change of the solvent used during synthesis from methanol to ethanol, the magnetic behavior of th…

Metal-Organic Frameworks: Synthesis and ApplicationsMagnetism in coordination complexesAdvanced Condensed Matter Physics

Circular Differential Scattering of Light in Films of Chiral Polyfluorene

Girish Lakhwani、Stefan C. J. Meskers、René A. J. Janssen2007-04-19The Journal of Physical Chemistry B

Circular differential transmission in thick films (1.1 mum) of poly{9,9-bis[(3S)-3,7-dimethyloctyl]-2,7-fluorene} is investigated. The vitrified liquid crystalline film obtained after annealing shows high circular differential transmission of light in the wavelength range where the polyfluorene does not absorb (lambda…

Liquid Crystal Research AdvancementsPhotorefractive and Nonlinear OpticsPhotochromic and Fluorescence Chemistry

Diffusion-induced bias in near-wall velocimetry

Reza Sadr、Christel Hohenegger、Haifeng Li 等 5 位作者2007-04-19Journal of Fluid Mechanics

The Brownian fluctuations of the colloidal tracers often used in microscale velocimetry are typically isotropic in the bulk. In the near-wall region, however, these fluctuations are strongly affected by the hydrodynamic interaction with the wall and by the no-flux condition imposed by the wall. These wall effects can,…

Phase Equilibria and ThermodynamicsMaterial Dynamics and PropertiesField-Flow Fractionation Techniques

Reversible Disulfide Cross-Linking in Layer-by-Layer Films: Preassembly Enhanced Loading and pH/Reductant Dually Controllable Release

Jia Niu、Feng Shi、Zan Liu 等 5 位作者2007-04-19Langmuir

This paper describes the fabrication of polyelectrolyte multilayer film which combines preassembly of poly(allylamine hydrochloride) (PAH) and 5,10,15,20-tetraphenyl-21H,23H-porphine-p,p',p' ',p' ''-tetrasulfonic acid tetrasodium hydrate (TPPS) in aqueous solution with the layer-by-layer (LbL) assembly of the PAH-TPPS…

Surface Modification and SuperhydrophobicityElectrospun Nanofibers in Biomedical ApplicationsPolymer Surface Interaction Studies

The Ball‐Shaped Heteropolytungstates [{Sn(CH3)2(H2O)}24{Sn(CH3)2}12(A‐XW9O34)12]36− (X=P, As): Stability, Redox and Electrocatalytic Properties in Aqueous Media

B. Keita、Pedro de Oliveira、Louis Nadjo 等 4 位作者2007-04-19Chemistry - A European Journal

The electrochemical behavior of the ball-shaped heteropolytungstates [[Sn(CH(3))(2)(H(2)O)](24)[Sn(CH(3))(2)](12)(A-XW(9)O(34))(12)](36-) (X=P, 1; As, 2) was examined in aqueous electrolytes by redissolution of their respective mixed cesium-sodium salts Cs(14)Na(22)[[Sn(CH(3))(2)(H(2)O)](24)[Sn(CH(3))(2)](12) (A-PW(9)…

Metal-Organic Frameworks: Synthesis and ApplicationsPolyoxometalates: Synthesis and ApplicationsAdvanced Nanomaterials in Catalysis

Variation of structural and hyperfine parameters in nanoparticles of Cr-substituted Co-Zn ferrites

Ram K. Sharma、Varkey Sebastian、N. Lakshmi 等 6 位作者2007-04-19Physical Review B

The effect of Cr substitution into nanocrystalline Co-Zn ferrite prepared by the chemical coprecipitation method has been studied. M\"ossbauer studies at a temperature $(20\phantom{\rule{0.3em}{0ex}}\mathrm{K})$ well below the blocking temperatures of the samples show that Cr goes preferentially into the octahedral $B…

Magnetic Properties and Synthesis of FerritesIron oxide chemistry and applicationsMagneto-Optical Properties and Applications