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Role of semicore states in the electronic structure of group-III nitrides: An exact exchange study

A. Qteish、A. I. Al-Sharif、M. Fuchs 等 6 位作者2005-09-09arXiv

The bandstructure of the zinc-blende phase of AlN, GaN, InN is calculated employing the exact-exchange (EXX) Kohn-Sham density-functional theory and a pseudopotential plane-wave approach. The cation semicore d electrons are treated both as valence and as core states. The EXX bandgaps of AlN and GaN (obtained with the…

Materials Science

More on phase diagram of Laponite

B. Ruzicka、L. Zulian、G. Ruocco2005-09-09arXiv

The phase diagram of a charged colloidal system (Laponite) has been investigated by dynamic light scattering in a previously unexplored range of salt and clay concentrations. Specifically the clay weight and salt molar concentrations have been varied in the ranges Cw=0.004- 0.025, Cs=(1x 10^-3- 5x 10^-3) M respectivel…

Soft Condensed MatterMaterials Science

Negative differential resistance in single crystal La_{2}CuO_{4} at low temperature

B. I. Belevtsev、N. V. Dalakova2005-09-09arXiv

A current-controlled negative differential resistance has been revealed in the I-V characteristics of single crystal La$_{2}$CuO$_{4+δ}$ in the low temperature region. The non-linear behavior of conductivity is accompanied by a transition from positive to negative magnetoresistance when the current is growing. Possibl…

Materials ScienceSuperconductivity

Magnetic Chains Created by Polymer-Induced Assembly of Hollow Cobalt Nanoparticles

Lin Guo、Fang Liang、Chen Min Liu 等 9 位作者2005-09-09arXiv

Magnetic chains of hollow cobalt nanoparticles (450-750 nm) have been synthesized by using poly(vinyl pyrrolidone) (PVP) as a template in an ethylene glycol solution. In this process, CoCl2.6H2O was reduced by N2H4.H2O in the presence of PVP. All of the Co nanoparticles are hollow with a shell of 40 nm and self-assemb…

Materials Science

Deposition Precipitation for the Preparation of Carbon Nanofiber Supported Nickel Catalysts

Martijn K. van der Lee、Jos van Dillen、Johannes H. Bitter 等 4 位作者2005-09-09Journal of the American Chemical Society

Deposition precipitation of nickel hydroxide onto modified carbon nanofibers has been studied and compared to deposition onto silica. The carbon nanofiber support materials consisted of graphite-like material of the fishbone-type with a diameter of 20-50 nm and a specific surface area of 150 m2/g. Modification involve…

Supercapacitor Materials and FabricationCatalytic Processes in Materials ScienceGraphene research and applications

White-light emission of polyvinyl alcohol∕ZnO hybrid nanofibers prepared by electrospinning

XiaoMeng Sui、Changlu Shao、Yichun Liu2005-09-09Applied Physics Letters

Polyvinyl alcohol∕ZnO (PVA∕ZnO) hybrid nanofibers were prepared by the electrospinning technique. The structural and spectral information of the nanofibers was characterized by scanning electron microscopy, x-ray diffraction, Fourier transform infrared spectroscopy, differential scanning calorimetry, resonant Raman, a…

Advanced Sensor and Energy Harvesting MaterialsConducting polymers and applicationsElectrospun Nanofibers in Biomedical Applications

Thermal Behavior of Polyelectrolyte Multilayer Microcapsules. 1. The Effect of Odd and Even Layer Number

Karen Köhler、Dmitry G. Shchukin、Helmuth Möhwald 等 4 位作者2005-09-09The Journal of Physical Chemistry B

The temperature-dependent behavior of hollow polyelectrolyte multilayer capsules consisting of poly(diallyldimethylammonium chloride) (PDADMAC) and poly(styrene sulfonate) (PSS) with a different number of layers was investigated in aqueous media using confocal laser scanning microscopy, scanning and transmission elect…

Electrospun Nanofibers in Biomedical ApplicationsPolymer Surface Interaction StudiesDendrimers and Hyperbranched Polymers

Theoretical Analysis of Factors Affecting the Formation and Stability of Multilayered Colloidal Dispersions

David Julian McClements2005-09-09Langmuir

A mathematical analysis of the major factors influencing the formation and stability of colloidal dispersions containing spherical particles surrounded by multilayered polymeric interfacial membranes formed by the layer-by-layer electrostatic deposition technique is carried out. The mathematical model assumes that (i)…

Electrostatics and Colloid InteractionsPolymer Surface Interaction StudiesSurfactants and Colloidal Systems

Carbon Nanotubes in Electron Donor−Acceptor Nanocomposites

Dirk M. Guldi、Gul Rahman、Francesco Zerbetto 等 4 位作者2005-09-09OpenAlex

This Account presents recent advances in the design, synthesis, characterization, and potential applications of new hybrid materials based on carbon nanotube and electron donors. Fast charge separation and slow charge recombination are consistently observed in a variety of composites that contain porphyrin derivatives…

Porphyrin and Phthalocyanine ChemistryConducting polymers and applicationsCarbon Nanotubes in Composites

Pressure Dependence of Fragile-to-Strong Transition and a Possible Second Critical Point in Supercooled Confined Water

Li Liu、Sow‐Hsin Chen、Antonio Faraone 等 5 位作者2005-09-09OpenAlex

By confining water in nanopores of silica glass, we can bypass the crystallization and study the pressure effect on the dynamical behavior in deeply supercooled state using neutron scattering. We observe a clear evidence of a cusplike fragile-to-strong (FS) dynamic transition. Here we show that the transition temperat…

Material Dynamics and PropertiesTheoretical and Computational PhysicsPhase Equilibria and Thermodynamics

The Role of an Aliphatic–Aromatic Interaction in the Stabilization of a Model β‐Hairpin Peptide

M. Teresa Pastor、Ana Giménez‐Giner、Enríque Pérez‐Payá2005-09-08ChemBioChem

Was the β-hairpin fished out from a conformationally defined peptide library of close to 140 000 structures really stabilized? Or was the unexpected Ile residue at the hydrogen-bonded position a mistake in the selection procedure? It seems that the answer is yes, it was. The β-branched side chains of Ile and Val (at p…

Antimicrobial Peptides and ActivitiesChemical Synthesis and AnalysisSupramolecular Self-Assembly in Materials

Synthesis and Characterization of a Cyclic Bis‐silver(I) Assembly of Four 2‐Aza‐21‐carbaporphyrinatosilver(III) Subunits

Piotr J. Chmielewski2005-09-08Angewandte Chemie

Vierfach verdreht: Ein Aggregat aus vier N-invertierten Porphyrinatosilber(III)-Untereinheiten (siehe Struktur; N blau, Ag oliv, C grau/rot) um einen Cyclus, der zwei Silber(I)-Ionen enthält, entsteht effizient durch Kombinieren der freien Base eines dimeren N-invertierten Porphyrins mit einem Silber(I)-Salz.

Porphyrin and Phthalocyanine ChemistryMagnetism in coordination complexesMetal-Catalyzed Oxygenation Mechanisms

Patterning of ferroelectric nanodot arrays using a silicon nitride shadow mask

Hyung‐Joon Shin、Je Hyuk Choi、Hee Jun Yang 等 6 位作者2005-09-08Applied Physics Letters

We grew well-ordered arrays of ferroelectric Pb(Zr0.2Ti0.8)O3 (PZT) nanodots on a SrRuO3∕SrTiO3 substrate by pulsed laser deposition. A silicon nitride shadow mask with ordered holes was used for patterning of the PZT arrays. Each dot has a height of ∼15nm and a diameter of ∼120nm with a similar dome shape over a larg…

Adhesion, Friction, and Surface InteractionsAcoustic Wave Resonator TechnologiesFerroelectric and Piezoelectric Materials

Charge Separation in Heterostructures of InP Nanocrystals with Metal Particles

Nada M. Dimitrijević、Tijana Rajh、S. P. Ahrenkiel 等 6 位作者2005-09-08The Journal of Physical Chemistry B

The optical and electron paramagnetic resonance (EPR) properties of InP nanocrystals, in which metallic gold or indium is present as an incorporated part of the nanocrystals, have been studied. A study of Au/InP quantum rods supports different carrier localization regimes compared to metal-free quantum rods, including…

Gold and Silver Nanoparticles Synthesis and ApplicationsQuantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin Films

Bulk and interfacial properties in colloid-polymer mixtures

R. L. C. Vink、Arben Jusufi、Joachim Dzubiella 等 4 位作者2005-09-08Physical Review E

Large-scale Monte Carlo simulations of a phase-separating colloid-polymer mixture are performed and compared to recent experiments. The approach is based on effective interaction potentials in which the central monomers of self-avoiding polymer chains are used as effective coordinates. By incorporating polymer nonidea…

Material Dynamics and PropertiesPhase Equilibria and ThermodynamicsPickering emulsions and particle stabilization

Chemical and icosahedral short-range orders in liquid and undercooled Al80Mn20 and Al80Ni20 alloys: A first-principles-based approach

N. Jakse、O. Le Bacq、A. Pasturel2005-09-08The Journal of Chemical Physics

Atomic structures of stable liquid and undercooled liquid Al(80)Mn(20) and Al(80)Ni(20) alloys have been calculated by first-principles molecular-dynamics simulations. For both alloys, the local structure as defined by the Faber-Ziman pair-correlation functions is characterized by a strong Al-transition-metal affinity…

Material Dynamics and PropertiesQuasicrystal Structures and PropertiesTheoretical and Computational Physics

Ferroelectric Liquid Crystals Induced by Dopants with Axially Chiral 2,2‘-Spirobiindan-1,1‘-dione Cores

Christopher J. Boulton、Jeremy Finden、Eagranie Yuh 等 7 位作者2005-09-08Journal of the American Chemical Society

The axially chiral dopants (R)-5,5'-, 5,6'-, and 6,6'-diheptyloxy-2,2'-spirobiindan-1,1'-dione ((R)-2, -3, and -4) were synthesized in optically pure form, and their absolute configurations were assigned by the exciton chirality method using circular dichroism spectroscopy. These new compounds were doped in four achir…

Surfactants and Colloidal SystemsMolecular spectroscopy and chiralityLiquid Crystal Research Advancements

Isomer Structure−Optical Property Relationships for Naphthalene-Based Poly(perfluorocyclobutyl ether)s

Jieun Ghim、Hwa-Sub Shim、Bu Gon Shin 等 9 位作者2005-09-08Macromolecules

Synthesis and characterization of new naphthalene-based PFCB aryl ether polymeric isomers with 1,5-, 1,6-, 2,6-, and 2,7-linkages were described. Monomers of perfluorocyclobutane (PFCB) poly(aryl ether)s, 1,5-, 1,6-, 2,6-, and 2,7-bis(trifluorovinyloxy)naphthalene, were synthesized from dihydroxynaphthalenes in two st…

Organic Light-Emitting Diodes ResearchSynthesis and properties of polymersOrganic Electronics and Photovoltaics

Formation of o‐Phenylenediamine Oligomers and their Self‐Assembly into One‐Dimensional Structures in Aqueous Medium

Xuping Sun、Shaojun Dong、Erkang Wang2005-09-08Macromolecular Rapid Communications

Abstract Summary: Uniform one‐dimensional (1D) structures of o ‐phenylenediamine (oPD) oligomers are obtained by direct mix of AgNO 3 and oPD aqueous solutions at room temperature. The formation of the 1D structures involves two stages: (1) oxidation of oPD by AgNO 3 , yielding individual oPD oligomers; and (2) self‐a…

Organic Electronics and PhotovoltaicsConducting polymers and applicationsSupramolecular Self-Assembly in Materials

Synthesis and Characterization of a Cyclic Bis‐silver(I) Assembly of Four 2‐Aza‐21‐carbaporphyrinatosilver(III) Subunits

Piotr J. Chmielewski2005-09-08Angewandte Chemie International Edition

Four-gone confusion! An assembly of four N-confused porphyrinatosilver(III) subunits (see structure; N blue, Ag olive-colored, C silver/red) placed on the perimeter of a cyclic structure that comprises two silver(I) ions is effectively formed from a bis(N-confused porphyrin) free base and a silver(I) salt.

Porphyrin and Phthalocyanine ChemistryLuminescence and Fluorescent MaterialsMetal-Catalyzed Oxygenation Mechanisms