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First-principles GW-BSE excitations in organic molecules

Murilo L. Tiago、James R. Chelikowsky2005-08-26arXiv

We present a first-principles method for the calculation of optical excitations in nanosystems. The method is based on solving the Bethe-Salpeter equation (BSE) for neutral excitations. The electron self-energy is evaluated within the GW approximation, with dynamical screening effects described within time-dependent d…

Materials Science

Spin-polarized electron transport in ferromagnet/semiconductor heterostructures: Unification of ballistic and diffusive transport

R. Lipperheide、U. Wille2005-08-26arXiv

A theory of spin-polarized electron transport in ferromagnet/semiconductor heterostructures, based on a unified semiclassical description of ballistic and diffusive transport in semiconductor structures, is developed. The aim is to provide a framework for studying the interplay of spin relaxation and transport mechani…

Materials Science

Metal-Assembling Dendrimers with a Triarylamine Core and Their Application to a Dye-Sensitized Solar Cell

Norifusa Satoh、Toshio Nakashima、Kimihisa Yamamoto2005-08-26Journal of the American Chemical Society

A series of charge-separable and hole-transporting phenylazomethine dendrimers with a triarylamine core are prepared and evaluated for use as a charge separator in dye-sensitized solar cells (DSSCs). Triphenylamine with dendric phenylazomethine (TPA-DPA) is prepared by synthesizing up to five generations of dendrons u…

Advanced Nanomaterials in CatalysisConducting polymers and applicationsAdvanced biosensing and bioanalysis techniques

A Spectroscopic Analysis of Blue and Ultraviolet Upconverted Emissions from Gd3Ga5O12:Tm3+, Yb3+ Nanocrystals

Fabiano Pandozzi、Fiorenzo Vetrone、John‐Christopher Boyer 等 7 位作者2005-08-26The Journal of Physical Chemistry B

The spectroscopic behavior of gadolinium gallium garnet (Gd3Ga5O12, GGG) nanocrystals codoped with 1% each of Tm3+ and Yb3+ prepared via a solution combustion synthesis procedure was investigated. Initial excitation of the codoped nanocrystals with 465.8 nm (into the 1G4 state) showed a dominant blue-green emission as…

Luminescence Properties of Advanced MaterialsOptical properties and cooling technologies in crystalline materialsSolid State Laser Technologies

Packing and percolation of poly-disperse discs and spheres

Takashi Odagaki、Tsuyoshi Okubo、Ryusei Ogata 等 4 位作者2005-08-26arXiv

For the binary discs packed in two dimensions, the packing fraction of disc assembly becomes lower than that of the monodisperse system when the size ratio is close to unity. We show that the suppressed packing fraction is caused by an increase of the adjacent neighbours with long bonds where the adjacent neighbours i…

cond-mat.dis-nnMaterials Science

Ferroelectricity in Incommensurate Magnets

A. B. Harris、G. Lawes2005-08-26arXiv

We review the phenomenology of coupled magnetic and electric order parameters for systems in which ferroelectric and incommensurate magnetic order occur simultaneously. We discuss the role that such materials might play in fabricating novel magnetoelectric devices. Then we briefly review the mean-field description of…

Materials Science

Atomic-scale surface demixing in a eutectic liquid BiSn alloy

Oleg G. Shpyrko、Alexei Yu. Grigoriev、Reinhard Streitel 等 9 位作者2005-08-26arXiv

Resonant x-ray reflectivity of the surface of the liquid phase of the Bi$_{43}$Sn$_{57}$ eutectic alloy reveals atomic-scale demixing extending over three near-surface atomic layers. Due to the absence of underlying atomic lattice which typically defines adsorption in crystalline alloys, studies of adsorption in liqui…

Materials Sciencecond-mat.stat-mechcond-mat.dis-nn

Pickering Stabilized Miniemulsion Polymerization: Preparation of Clay Armored Latexes

Séverine Cauvin、Patrick J. Colver、Stefan A. F. Bon2005-08-26Macromolecules

ADVERTISEMENT RETURN TO ISSUEPREVCommunication to the...Communication to the EditorNEXTPickering Stabilized Miniemulsion Polymerization: Preparation of Clay Armored LatexesSéverine Cauvin, Patrick J. Colver, and Stefan A. F. BonView Author Information Department of Chemistry, University of Warwick, Coventry CV4 7AL, U…

Advanced Polymer Synthesis and CharacterizationSurfactants and Colloidal SystemsPickering emulsions and particle stabilization

A Template‐Based Electrochemical Method for the Synthesis of Multisegmented Metallic Nanotubes

Woo Lee、Roland W. Scholz、Kornelius Nielsch 等 4 位作者2005-08-26Angewandte Chemie International Edition

Bimetallic nanotubes: Uniform arrays of metal nanotubes were prepared by the electrodeposition of a thin metallic film on the pore walls of anodic aluminum oxide membranes decorated with metallic nanoparticles. Multisegmented nanotubes with a bimetallic stacking configuration along the nanotube axis can be fabricated…

Nanowire Synthesis and ApplicationsAnodic Oxide Films and NanostructuresElectrocatalysts for Energy Conversion

Growth of Carbon Nanotubes on Metal Nanoparticles: A Microscopic Mechanism fromAb InitioMolecular Dynamics Simulations

Jean‐Yves Raty、François Gygi、Giulia Galli2005-08-26OpenAlex

We report on ab initio molecular dynamics simulations of the early stages of single-walled carbon nanotube (SWCNT) growth on metal nanoparticles. Our results show that a sp2 bonded cap is formed on an iron catalyst, following the diffusion of C atoms from hydrocarbon precursors on the nanoparticle surface. The weak ad…

Chemical and Physical Properties of MaterialsCarbon Nanotubes in CompositesGraphene research and applications

High Flux Filtration Medium Based on Nanofibrous Substrate with Hydrophilic Nanocomposite Coating

Xuefen Wang、Xuming Chen、Kyunghwan Yoon 等 6 位作者2005-08-26OpenAlex

A novel high flux filtration medium, consisting of a three-tier composite structure, i.e., a nonporous hydrophilic nanocomposite coating top layer, an electrospun nanofibrous substrate midlayer, and a conventional nonwoven microfibrous support, was demonstrated for oil/water emulsion separations for the first time. Th…

Surface Modification and SuperhydrophobicityElectrospun Nanofibers in Biomedical ApplicationsMembrane Separation Technologies

Carbon Nanotube Ballistic Thermal Conductance and Its Limits

Natalio Mingo、David Broido2005-08-26OpenAlex

Calculations of the quantum-mechanical ballistic thermal conductance of single-walled carbon nanotubes, graphene, and graphite are presented, which explain previous experimental results, and directly disprove earlier theoretical calculations. The ballistic thermal conductances are smaller than had been previously thou…

Graphene research and applicationsThermal properties of materialsCarbon Nanotubes in Composites

Poly(amidoamine) Dendrimer-Based Multifunctional Engineered Nanodevice for Cancer Therapy

István Majoros、Thommey P. Thomas、Chandan Mehta 等 4 位作者2005-08-26OpenAlex

Multifunctional cancer therapeutic nanodevices have been designed and synthesized using the poly(amidoamine) (PAMAM) dendrimer as a carrier. Partial acetylation of the generation 5 (G5) PAMAM dendrimer was utilized to neutralize a fraction of the primary amino groups, provide enhanced solubility of the dendrimer durin…

Dendrimers and Hyperbranched PolymersChemical Synthesis and AnalysisRNA Interference and Gene Delivery

Electric Field-Induced Magnetization Switching in Epitaxial Columnar Nanostructures

F. Zavaliche、Haimei Zheng、L. Mohaddes-Ardabili 等 13 位作者2005-08-26OpenAlex

We present direct evidence for room-temperature magnetization reversal induced by an electric field in epitaxial ferroelectric BiFeO3-ferrimagnetic CoFe2O4 columnar nanostructures. Piezoelectric force microscopy and magnetic force microscopy were used to locally image the coupled piezoelectric-magnetic switching. Quan…

Ferroelectric and Piezoelectric MaterialsMagneto-Optical Properties and ApplicationsMultiferroics and related materials

The bactericidal effect of silver nanoparticles

José Rubén Morones‐Ramírez、Jose Luis Elechiguerra、Alejandra Camacho 等 7 位作者2005-08-26OpenAlex

Nanotechnology is expected to open new avenues to fight and prevent disease using atomic scale tailoring of materials. Among the most promising nanomaterials with antibacterial properties are metallic nanoparticles, which exhibit increased chemical activity due to their large surface to volume ratios and crystallograp…

Nanoparticles: synthesis and applicationsLaser-Ablation Synthesis of NanoparticlesNanotechnology research and applications

Pyroelectricity and Spontaneous Polarization in [111] Oriented 0.955 Pb(Zn 1/3 Nb 2/3 )O 3 –0.045PbTiO 3 Single Crystals

Shen Mingrong、Dong-Lai Yao、Cao Wenwu2005-08-25Chinese Physics Letters

We report that the measurements of the pyroelectric current of the pre-poled [111]-oriented 0.955 Pb(Zn 1/3 Nb 2/3 ) O 3 –0.045 PbTiO 3 (PZN-4.5%PT) single crystals can shed some light on the phase transition and spontaneous polarization characters of this material in a similar way to measures of remanent polarization…

Microwave Dielectric Ceramics SynthesisMultiferroics and related materialsFerroelectric and Piezoelectric Materials

Magnetotransport properties of La 0.67 Ca 0.33 MnO 3 /La 0.67 Sr 0.33 MnO 3 bilayers

Jiafeng Feng、Kun Zhao、Huang Yan-Hong 等 7 位作者2005-08-25Chinese Physics

The perovskite bilayers La 0.67 Ca 0.33 MnO 3 (LCMO) (100 nm) / La 0.67 Sr 0.33 MnO 3 (LSMO) (100 nm) and LSMO (100 nm) / LCMO (100 nm) are fabricated by a facing-target sputtering technique. Their transport and magnetic properties are investigated. It is found that the transport properties between them are different…

Rare-earth and actinide compoundsMagnetic Properties of AlloysMagnetic and transport properties of perovskites and related materials

Measurements on the frozen strain in XLPE insulated cables using thermo mechanical analysis

Hisako Suzuki、Mamoru Kanaoka、Y. Sekii2005-08-25OpenAlex

This study is presented on the frozen strain in XLPE measured by means of a thermomechanical analysis (TMA). The magnitude of the strain in XLPE insu lated cables ranges from 2 to 8 % and the cable insulation is stressed in tension for the axial and azimuthal directions and compression for the radial direction. Thermo…

High voltage insulation and dielectric phenomenaFiber-reinforced polymer compositesThermal Analysis in Power Transmission

Structured Folded-Plate Reactor for CO Preferential Oxidation

Eduardo López、Grigorios Kolios、G. Eigenberger2005-08-25Industrial & Engineering Chemistry Research

An Au/α-Fe 2 O 3 −γ-Al 2 O 3 catalyst (0.96% (w/w) of Au and 4.8% of Fe 2 O 3 ) was tested for activity and selectivity in an isothermal flat-bed reactor. Very good activity and selectivity values were measured for different operation temperatures and compositions. The reaction rate parameters of carbon monoxide and h…

Catalysts for Methane ReformingCatalytic Processes in Materials ScienceCatalysis and Hydrodesulfurization Studies

Figure of Merit for Detectors Based on Laser-Induced Thermoelectric Voltages in La1−xCaxMnO3and YBa2Cu3O7−σThin Films

Guoyong Zhang、Pengxiang Zhang、Zhang Hui 等 4 位作者2005-08-25Chinese Physics Letters

A figure of merit (FOM) Z = U p /τ r , where U p is the peak voltage, and τ r is the rise time of the laser-induced thermoelectric voltage (LITV) signal, is defined for photodetector based on the LITV and the influence of the parameters on FOM is analysed based on the time dependence of LITVs in La 1− x Ca x MnO 3 (LC…

Optical properties and cooling technologies in crystalline materialsMagnetic and transport properties of perovskites and related materialsAdvanced Thermoelectric Materials and Devices