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Half-Metallic Graphene Nanoribbons

Young-Woo Son、Marvin L. Cohen、Steven G. Louie2006-11-23arXiv

Electrical current can be completely spin polarized in a class of materials known as half-metals, as a result of the coexistence of metallic nature for electrons with one spin orientation and insulating for electrons with the other. Such asymmetric electronic states for the different spins have been predicted for some…

Mesoscale and Nanoscale PhysicsMaterials Science

Determination of complex absorbing potentials from the electron self-energy

Thomas M. Henderson、Giorgos Fagas、Eoin Hyde 等 4 位作者2006-11-23arXiv

The electronic conductance of a molecule making contact to electrodes is determined by the coupling of discrete molecular states to the continuum electrode density of states. Interactions between bound states and continua can be modeled exactly by using the (energy-dependent) self-energy, or approximately by using a c…

Materials Sciencecond-mat.other

Beam Propagation in Photonic Crystals

B. Guizal、D. Felbacq、R. Smaali2006-11-23arXiv

The recent interest in the imaging possibilities of photonic crystals (superlensing, superprism, optical mirages etc...) call for a detailed analysis of beam propagation inside a finite periodic structure. In this paper, we give such a theoretical and numerical analysis of beam propagation in 1D and 2D photonic crysta…

Materials Science

TiO2Stability Landscape: Polymorphism, Surface Energy, and Bound Water Energetics

Andrey A. Levchenko、Guangshe Li、Juliana Boerio‐Goates 等 5 位作者2006-11-23Chemistry of Materials

The energetics of pure-phase rutile nanorods and spherical anatase nanoparticles have been studied by high-temperature drop solution calorimetry in 3Na 2 O·4MoO 3 solvent at 975 K and water adsorption calorimetry in a wide range of particle sizes (surface area) from 6 to 40 nm (5−270 m 2 /g). The calorimetric surface…

TiO2 Photocatalysis and Solar CellsAdvanced Photocatalysis TechniquesCatalytic Processes in Materials Science

Photochemically Driven Shape Changes of Crystalline Organic Nanorods

Rabih O. Al‐Kaysi、Astrid M. Müller、Christopher J. Bardeen2006-11-23Journal of the American Chemical Society

Nanorods composed of 9-tert-butylanthroate (9-TBAE) are synthesized using an Al2O3 template and solvent annealing. The rods consist of micron-scale crystalline domains, and UV light induces a [4 + 4] photodimerization that results in a uniform 15% expansion along the rod axis. This is in contrast to random 9-TBAE crys…

Organic Electronics and PhotovoltaicsAdvanced Polymer Synthesis and CharacterizationLuminescence and Fluorescent Materials

Electronic Transitions Involved in the Absorption Spectrum and Dual Luminescence of Tetranuclear Cubane [Cu4I4(pyridine)4] Cluster: a Density Functional Theory/Time-Dependent Density Functional Theory Investigation

Filippo De Angelis、Simona Fantacci、Antonio Sgamellotti 等 6 位作者2006-11-23Inorganic Chemistry

We present a combined density functional theory (DFT)/time-dependent density functional theory (TDDFT) study of the geometry, electronic structure, and absorption and emission properties of the tetranuclear "cubane" Cu4I4py4 (py = pyridine) system. The geometry of the singlet ground state and of the two lowest triplet…

Magnetism in coordination complexesLanthanide and Transition Metal ComplexesNanocluster Synthesis and Applications

Aligned Ultralong ZnO Nanobelts and Their Enhanced Field Emission

W. Z. Wang、Baoqing Zeng、Jin Yang 等 7 位作者2006-11-23Advanced Materials

Aligned ultralong ZnO nanobelts with an average length of 3.3 mm and widths up to 6 μm (see figure) are synthesized on a metal substrate through a one-step process. The nanobelts obtained from this molten-salt-assisted thermal evaporation route show an emission current density of 1 mA cm–2 at an electric field of 2.9…

ZnO doping and propertiesNanowire Synthesis and ApplicationsGa2O3 and related materials

Single-Walled Carbon Nanotube Growth from Highly Activated Metal Nanoparticles

Daisuke Takagi、Yoshikazu Homma、Hiroki Hibino 等 5 位作者2006-11-23OpenAlex

We demonstrate that any metal, even gold, silver, and copper, can act as a catalyst for SWCNT synthesis in chemical vapor deposition (CVD). Metal nanoparticles 3 nm or less in diameter, introduced into CVD ambience immediately after heat treatment at 800-950 degrees C in air, produce SWCNTs. The activation method is e…

Carbon Nanotubes in CompositesGraphene research and applicationsFullerene Chemistry and Applications

Ba(Zr0.1Ce0.7Y0.2)O3–δ as an Electrolyte for Low‐Temperature Solid‐Oxide Fuel Cells

Chendong Zuo、Shuai Zha、Meilin Liu 等 5 位作者2006-11-23OpenAlex

The applicability of the proton conductor Ba(Zr0.1Ce0.7Y0.2)O3–δ (BZCY7) as an electrolyte material for solid-oxide fuel cells (SOFCs) is investigated. The electrolyte material exhibits ionic conductivities (see figure) among the highest known for electrolytes viable for SOFC applications, and the chemical and thermal…

Advancements in Solid Oxide Fuel CellsMagnetic and transport properties of perovskites and related materialsChemical Looping and Thermochemical Processes

Use of tanninsulfonic acid in the synthesis of water‐dispersible polyaniline

K. K. Taylor、C. V. Cole、Brian Berry 等 4 位作者2006-11-22Journal of Applied Polymer Science

Abstract Polyaniline was synthesized in the presence of tanninsulfonic acid to yield a product tanninsulfonic acid‐doped polyaniline (TANI‐PANI) that is water‐dispersible. Several samples ranging from 0 to 70% tanninsulfonate (TS) were prepared. These samples were then evaluated for differences in dispersibility, part…

Electrochemical sensors and biosensorsAdvanced Sensor and Energy Harvesting MaterialsConducting polymers and applications

Reinvestigation of CuSe2O5

Richard Becker、H. Berger2006-11-22Acta Crystallographica Section E Structure Reports Online

The crystal structure of the title compound, copper(II) diselenium(IV) pentoxide [Meunier, Svensson & Carpy, (1976). Acta Cryst. B32, 2664–2667], has been reinvestigated and confirmed to much higher precision, and anisotropic displacement parameters has been refined. The structure consists of CuO4 planar squares and S…

Crystal Structures and PropertiesX-ray Diffraction in CrystallographyInorganic Fluorides and Related Compounds

Synthesis and characterization of aliphatic hyperbranched polyesters

Jasna Vuković2006-11-22CER (University of Belgrade, Institute of Chemistry, Technology and Metallurgy)

The synthesis of dendritic polymers, i.e., dendrimers (ideally branched) and hyperbranched polymers (non-ideally
\nbranched) and investigation of their properties have gained large scientific attention over the last twenty years [1].
\nDendrimers are difficult and expensive to synthesize, while hyperbranched (…

Dendrimers and Hyperbranched PolymersFerrocene Chemistry and ApplicationsSynthesis and Characterization of Heterocyclic Compounds

Channeling investigation of the crystalline structure ofU4O9−y

F. Garrido、Ł. Nowicki、L. Thomé2006-11-22Physical Review B

The crystallographic structure of ${\mathrm{U}}_{4}{\mathrm{O}}_{9\ensuremath{-}y}$ crystals can be described in terms of a spatial arrangement of special aggregates of oxygen atoms distributed throughout the basic fluorite framework of ${\mathrm{UO}}_{2}$. The structure of ${\mathrm{U}}_{4}{\mathrm{O}}_{9\ensuremath{…

Radioactive element chemistry and processingNuclear Materials and PropertiesNuclear materials and radiation effects

Study on superabsorbent composite. VIII. Effects of acid‐ and heat‐activated attapulgite on water absorbency of polyacrylamide/attapulgite

Wenji Wang、Junping Zhang、Hao Chen 等 4 位作者2006-11-22Journal of Applied Polymer Science

Abstract A novel superabsorbent composite, polyacrylamide/attapulgite, from acrylamide (AM) and attapulgite (APT), was prepared by free‐radical polymerization, using N,N′ ‐methylenebisacrylamide (MBA) as a crosslinker and ammonium persulfate (APS) as an initiator. The effects of hydrochloric acid (HCl) concentration,…

Hydrogels: synthesis, properties, applicationsPolymer Nanocomposites and PropertiesPolymer-Based Agricultural Enhancements

Variety of photoluminescence intensity of fluorescent whitening agents introduced into polyacrylonitrile nanofibers

Shugang Wang、Qingbiao Yang、Jianshi Du 等 5 位作者2006-11-22Journal of Applied Polymer Science

Abstract The major objective in this study was the preparation of polyacrylonitrile (PAN) nanofibers composed of 1,4‐bis( o ‐cyanostyryl)benzene (ER) and 1‐( o ‐cyanostyryl)‐4‐( p ‐cyanostyryl)benzene (EB), two kinds of fluorescent whitening agents widely used in the textile industry. The scanning electron microscopy…

Conducting polymers and applicationsElectrospun Nanofibers in Biomedical ApplicationsPolymer composites and self-healing

Structural Peculiarities of Mesostructured Carbons Obtained by Nanocasting Ordered Mesoporous Templates via Carbon Chemical Vapor or Liquid Phase Infiltration Routes

Julien Parmentier、Leonid A. Solovyov、Françoise Ehrburger‐Dolle 等 7 位作者2006-11-22Chemistry of Materials

Mesostructured carbon materials were obtained by nanocasting MCM-48 and SBA-15 ordered mesoporous silica templates via two carbon infiltration routes: a liquid-phase process (LPI) using sucrose solution or a gas-phase chemical vapor infiltration (CVI) process using propene. The structural characteristics of the carbon…

Supercapacitor Materials and FabricationZeolite Catalysis and SynthesisMesoporous Materials and Catalysis

Dielectric study on the shear-induced structural changes in the nematic and the smectic-Aphases of 4-n-octyl-4′-cyanobiphenyl (8CB)

Keishi Negita、Masaru Inoue、Shōichi Kondō2006-11-22Physical Review E

Dielectric measurements under steady shear flow are made to clarify the shear induced structural changes in the nematic (N) and the smectic-A (SA) phases of 4-n-octyl-4'-cyanobiphenyl (8CB). In the N phase, the temperature dependence of the dielectric permittivity shows a characteristic behavior, which can be consiste…

Liquid Crystal Research AdvancementsSurfactants and Colloidal SystemsMolecular spectroscopy and chirality

Influence of grafted polypropylene on the mechanical properties of mineral‐filled polypropylene composites

P. Toro、Raúl Quijada、Ronald Peralta 等 4 位作者2006-11-22Journal of Applied Polymer Science

Abstract The purpose of this work was to study how mineral fillers would behave in a polypropylene (PP) matrix when PP modified with maleic anhydride (MA) and/or itaconic acid (IA) was used as a coupling agent in the preparation of mineral‐filled PP composites. The composites were characterized with tensile mechanical…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesNatural Fiber Reinforced Composites

Density anomaly and liquid-liquid transition from perturbation theories

José B. Caballero、Antonio M. Puertas2006-11-22Physical Review E

We report on theoretical results concerning the relation between the liquid-liquid transition and the density anomaly for a family of ramp potentials (hard-core plus linear short range repulsion and linear long range attraction). Using first order perturbation, we have studied the influence of the range of the attract…

Phase Equilibria and ThermodynamicsMaterial Dynamics and PropertiesAdvanced Thermodynamics and Statistical Mechanics

Linear and Pre-organized Carboxylic Acid Picket Porphyrins as Bismuth Chelators

Zakaria Halime、Mohammed Lachkar、Éric Furet 等 5 位作者2006-11-22Inorganic Chemistry

New picket porphyrins delivering at least one carboxylic group around the coordination site of the macrocycle were synthesized for bismuth coordination. The influence of the number, the length, and the pre-organization of the carboxylic acid pickets on the stability of the bismuth complexes was explored. Their stabili…

Supramolecular Chemistry and ComplexesPorphyrin and Phthalocyanine ChemistrySurface Chemistry and Catalysis