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Rates of Oxidative Coupling of Humic Phenolic Monomers Catalyzed by a Biomimetic Iron-Porphyrin

Daniela Šmejkalová、Alessandro Piccolo2006-01-25Environmental Science & Technology

A synthetic water-soluble meso-tetra(2,6-dichloro-3-sulfonatophenyl)porphyrinate of iron(lll) chloride (FeP) was used as biomimetic catalyst in the oxidative coupling of three monomeric phenols (catechol, caffeic, and p-coumaric acids), which are common constituents of natural humic substances. The extent of oxidation…

Advanced oxidation water treatmentPorphyrin and Phthalocyanine ChemistryElectrochemical Analysis and Applications

Electronic structure and thermopower ofNi(Ti0.5Hf0.5)Snand related half-Heusler phases

Laurent Chaput、J. Toboła、P. Pécheur 等 4 位作者2006-01-25Physical Review B

In this paper we investigate the electronic structure and the thermopower for $\mathrm{Ni}({\mathrm{Ti}}_{0.5}{\mathrm{Hf}}_{0.5})\mathrm{Sn}$ and related half-Heusler compounds. Two different methods have been used to calculate the electronic structure, i.e., full potential linearized augmented plane wave method for…

Advanced Thermoelectric Materials and DevicesIntermetallics and Advanced Alloy PropertiesHeusler alloys: electronic and magnetic properties

Theoretical and Experimental Studies for the Application of Shape Memory Alloys in Civil Engineering

Mauro Dolce、Donatello Cardone2006-01-25Journal of Engineering Materials and Technology

Shape memory alloys (SMAs) have great potential for use in the field of civil engineering. The authors of this paper have been involved, from 1996, in several experimental and theoretical studies of the application of SMAs in civil engineering, for national and international research projects. This paper provides an o…

Shape Memory Alloy TransformationsStructural Engineering and Vibration Analysis

Anomalous lattice expansion of coherently strainedSrTiO3thin films grown onSi(001)by kinetically controlled sequential deposition

J. C. Woicik、Hua Li、P. Zschack 等 7 位作者2006-01-25Physical Review B

X-ray diffraction has been used to study the epitaxy and lattice expansion of thin films grown coherently on by kinetically controlled sequential deposition. The coherent growth of on Si produces films with greater in-plane compressive strain than previously attained, %. The measured expansion of the out-of-plane latt…

Semiconductor materials and devicesElectronic and Structural Properties of OxidesFerroelectric and Negative Capacitance Devices

Controlling Enzymatic Reactions by Geometry in a Biomimetic Nanoscale Network

Kristin Sott、Tatsiana Lobovkina、Ludvig Lizana 等 7 位作者2006-01-25Nano Letters

We demonstrate that a transition from a compact geometry (sphere) to a structured geometry (several spheres connected by nanoconduits) in nanotube-vesicle networks (NVNs) induces an ordinary enzyme-catalyzed reaction to display wavelike properties. The reaction dynamics can be controlled directly by the geometry of th…

Lipid Membrane Structure and BehaviorSupramolecular Self-Assembly in MaterialsPhotoreceptor and optogenetics research

Density functional theory for colloidal mixtures of hard platelets, rods, and spheres

Ansgar Esztermann、Hendrik Reich、Matthias Schmidt2006-01-25Physical Review E

A geometry-based density-functional theory is presented for mixtures of hard spheres, hard needles, and hard platelets; both the needles and platelets are taken to be of vanishing thickness. Geometrical weight functions that are characteristic for each species are given, and it is shown how convolutions of pairs of we…

Liquid Crystal Research AdvancementsMaterial Dynamics and PropertiesSurfactants and Colloidal Systems

“Fish‐in‐Net” Encapsulation of Enzymes in Macroporous Cages for Stable, Reusable, and Active Heterogeneous Biocatalysts

Xiaoyu Yang、Zhifang Li、Bingbing Liu 等 9 位作者2006-01-25Advanced Materials

Various enzymes are encapsulated in ordered mesoporous silica analogous to a fish in a net, where the enzymes are entrapped in macroporous cages that are connected by uniform mesoporous channels (see Figure). Most importantly, these encapsulated enzymes act as nanoreactors, showing not only comparable activities with…

Mesoporous Materials and CatalysisPorphyrin and Phthalocyanine ChemistrySurface Chemistry and Catalysis

Three intrinsic relationships of lattice parameters between intermediate monoclinicMCand tetragonal phases in ferroelectricPb[(Mg1∕3Nb2∕3)1−xTix]O3andPb[(Zn1∕3Nb2∕3)1−xTix]O3near morphotropic phase boundaries

Yu U. Wang2006-01-25Physical Review B

Systematic analysis of extensive experimental data confirms the theoretical prediction of three intrinsic relationships of lattice parameters between the recently discovered intermediate monoclinic ${\mathrm{M}}_{\mathrm{C}}$ phase and the conventional tetragonal phase in ferroelectric $\mathrm{Pb}[{({\mathrm{Mg}}_{1∕…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsMicrowave Dielectric Ceramics Synthesis

Electro-oxidation of Methanol on NiO-Promoted Pt / C and Pd / C Catalysts

Pei Kang Shen、Chen Xu、Rong Zeng 等 4 位作者2006-01-25Electrochemical and Solid-State Letters

Electro-oxidation of methanol on NiO-promoted Pt ∕ C and Pd ∕ C catalysts in alkaline media was studied. Such electrocatalysts are superior to pure Pt or Pd electrocatalysts. Electrochemical measurements revealed that the addition of NiO into Pt ∕ C or Pd ∕ C catalysts could significantly improve electrode performance…

Electrocatalysts for Energy ConversionCatalytic Processes in Materials ScienceCatalysis and Oxidation Reactions

Temperature dependence of the electron diffusion coefficient in electrolyte-filledTiO2nanoparticle films: Evidence against multiple trapping in exponential conduction-band tails

Nikos Kopidakis、Kurt D. Benkstein、Jao van de Lagemaat 等 6 位作者2006-01-25Physical Review B

The temperature and photoexcitation density dependences of the electron transport dynamics in electrolyte-filled mesoporous ${\mathrm{TiO}}_{2}$ nanoparticle films were investigated by transient photocurrent measurements. The thermal activation energy of the diffusion coefficient of photogenerated electrons ranged fro…

Quantum Dots Synthesis And PropertiesTransition Metal Oxide NanomaterialsCopper-based nanomaterials and applications

Photoluminescence Quenching Control in Quantum Dot–Carbon Nanotube Composite Colloids Using a Silica‐Shell Spacer

Marek Grzelczak、Miguel A. Correa‐Duarte、Verónica Salgueiriño 等 6 位作者2006-01-25Advanced Materials

One-dimensional nanocomposite colloids are prepared by means of electrostatic self-assembly of CdTe nanocrystals on both carbon nanotubes (CNTs) and silica-coated CNTs (see Figure). The dense coverage of these linear nanoparticle assemblies minimizes the spacing between the nanocrystals, thereby facilitating efficient…

Graphene research and applicationsQuantum Dots Synthesis And PropertiesSilicon Nanostructures and Photoluminescence

Tetrathiafulvalene-Calix[4]pyrroles: Synthesis, Anion Binding, and Electrochemical Properties

Kent A. Nielsen、Won‐Seob Cho、Joël Lyskawa 等 7 位作者2006-01-25Journal of the American Chemical Society

The syntheses of monotetrathiafulvalene-calix[4]pyrrole 5 and bistetrathiafulvalene-calix[4]pyrrole 6, prepared from the acid-catalyzed condensation of monopyrrolo[3,4-d]tetrathiafulvalene (MPTTF, 7) with acetone in the presence of tripyrrane 8 and dipyrromethane 9, respectively, are described. Compound 5 and the prev…

Magnetism in coordination complexesPorphyrin and Phthalocyanine ChemistryOrganic and Molecular Conductors Research

Two Modes of Transformation of Amorphous Calcium Carbonate Films in Air

Xurong Xu、Joong Tark Han、Do Hwan Kim 等 4 位作者2006-01-25The Journal of Physical Chemistry B

Large-area amorphous calcium carbonate (ACC) films in air are shown to be transformed into crystalline calcium carbonate (CaCO(3)) films via two modes-dissolution-recrystallization and solid-solid phase transition-depending on the relative humidity of the air and the temperature. Moisture in the air promotes the trans…

Calcium Carbonate Crystallization and Inhibitionnanoparticles nucleation surface interactionsThermal and Kinetic Analysis

Temperature-Activated Interfacial Friction Damping in Carbon Nanotube Polymer Composites

Jonghwan Suhr、Wei Zhang、Pulickel M. Ajayan 等 4 位作者2006-01-25Nano Letters

Effect of temperature on interfacial sliding in single-walled carbon nanotube polycarbonate composites is investigated experimentally. We show that interfacial slip at the tube-polymer interfaces can be activated at relatively low dynamic strain levels ( approximately 0.35%) by raising temperature to approximately 90…

Carbon Nanotubes in CompositesTribology and Wear AnalysisNanotechnology research and applications

Theory of hypothetical ferroelectric superlattices incorporating head-to-head and tail-to-tail 180° domain walls

Xifan Wu、David Vanderbilt2006-01-25Physical Review B

While electrical compatibility constraints normally prevent head-to-head (HH) and tail-to-tail (TT) domain walls from forming in ferroelectric materials, we propose that such domain walls could be stabilized by intentional growth of atomic layers in which the cations are substituted from a neighboring column of the pe…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsAcoustic Wave Resonator Technologies

A Tabulation and Critical Analysis of the Wavelength-Dependent Dielectric Image Coefficient for the Interaction Exerted by a Surface onto a Neighbouring Excited Atom

Solomon Saltiel、Daniel Bloch、Martial Ducloy2006-01-25arXiv

The near-field interaction of an atom with a dielectric surface is inversely proportional to the cube to the distance to the surface, and its coupling strength depends on a dielectric image coefficient. This coefficient, simply given in a pure electrostatic approach by (eps-1) / (eps+1) with eps the permittivity, is s…

Materials Sciencephysics.atom-phphysics.optics

Crystal Structure and Elementary Properties of NaxCoO2 (x = 0.32, 0.5, 0.6, 0.75, and 0.92) in the Three-Layer NaCoO2 Family

L. Viciu、J. W. G. Bos、H. W. Zandbergen 等 10 位作者2006-01-25arXiv

The crystal structures of the NaxCoO2 phases based on three-layer NaCoO2, with x=0.32, x=0.51, x=0.60, x=0.75 and x=0.92, determined by powder neutron diffraction, are reported. The structures have triangular CoO2 layers interleaved by sodium ions, and evolve with variation in Na content in a more complex way than has…

Materials ScienceStrongly Correlated Electrons

Origin of Ferromagnetism and its pressure and doping dependence in Tl$_{2}$Mn$_{2}$O$_{7}$

T. Saha-Dasgupta、Molly De Raychaudhury、D. D. Sarma2006-01-25arXiv

Using NMTO-{\it downfolding} technique, we explore and establish the origin of ferromagnetism in the pyrochlore system, Tl$_{2}$Mn$_{2}$O$_{7}$. It is found to be driven by hybridization induced spin-polarization of the delocalized charge carriers derived from Tl-$s$ and O-$p$ states. The mean-field estimate of the fe…

Materials ScienceStrongly Correlated Electrons

Critical Temperatures of a Two-Band Model for Diluted Magnetic Semiconductors

F. Popescu、Y. Yildirim、G. Alvarez 等 5 位作者2006-01-25arXiv

Using Dynamical Mean Field Theory (DMFT) and Monte Carlo (MC) simulations, we study the ferromagnetic transition temperature Tc of a two-band model for Diluted Magnetic Semiconductors (DMS), varying coupling constants, hopping parameters, and carrier densities. We found that Tc is optimized at all fillings p when both…

Materials Science

Morphological and mechanical properties of carbon nanotube/polymer composites via melt compounding

William E. Dondero、Russell E. Gorga2006-01-25Journal of Polymer Science Part B Polymer Physics

Abstract The mechanical properties and morphology of multiwall carbon nanotube (MWNT)/polypropylene (PP) nanocomposites were studied as a function of nanotube orientation and concentration. Through melt mixing followed by melt drawing, using a twin screw mini‐extruder with a specially designed winding apparatus, the d…

Carbon Nanotubes in CompositesPolymer Nanocomposites and PropertiesNanotechnology research and applications