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The Effects of Finite Length on the Electronic Structure of Carbon Nanotubes

Alain Rochefort、Dennis R. Salahub、Phaedon Avouris1998-08-24arXiv

The electronic structure of finite-length armchair carbon nanotubes has been studied using several ab-initio and semi-empirical quantum computational techniques. The additional confinement of the electrons along the tube axis leads to the opening of a band-gap in short armchair tubes. The value of the band-gap decreas…

Materials Science

Lowest Energy Structures of Gold Nanoclusters

Ignacio L. Garzón、Karo Michaelian、Marcela R. Beltrán 等 8 位作者1998-08-24OpenAlex

The lowest energy structures of ${\mathrm{Au}}_{n}$ ( $n\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}38,55,75$) nanoclusters are obtained by unconstrained dynamical and genetic-symbiotic optimization methods, using a Gupta $n$-body potential. A set of amorphous structures, nearly degenerate in energy, are found…

Computational Drug Discovery MethodsGraph theory and applicationsNanocluster Synthesis and Applications

Buckling and Collapse of Embedded Carbon Nanotubes

O. Lourie、D. M. Cox、H. Daniel Wagner1998-08-24OpenAlex

Experimental observations of various deformation and fracture modes under compression of single multiwalled carbon nanotubes, obtained as a result of embedment within a polymeric film, are reported. Based on a combination of experimental measurements and the theory of elastic stability, the compressive strengths of th…

Carbon Nanotubes in CompositesMechanical and Optical ResonatorsNanotechnology research and applications

High temperature excitonic stimulated emission from ZnO epitaxial layers

Darren M. Bagnall、Y. F. Chen、Z. Q. Zhu 等 6 位作者1998-08-24OpenAlex

The emission spectrum of high quality ZnO epilayers is studied from room temperature up to 550 K. At room temperature and low excitation power a single emission peak is observed which may be identified with the free exciton from its peak energy and dependence on temperature. However, when excitation intensities exceed…

ZnO doping and propertiesGaN-based semiconductor devices and materialsQuantum Dots Synthesis And Properties

Selective Incorporation of Inorganic Precursors into the Channels of MCM-41 by Molecular Assembly Template as a Hydrophobic Carrier

Michitaka Ohtaki、Kazumasa Inata、Koichi Eguchi1998-08-22Chemistry of Materials

Surfactant micellar templates used for synthesis of MCM-41 mesoporous oxides are revealed to serve as a hydrophobic carrier for bringing nonpolar inorganic precursors selectively into the one-dimensional channels of MCM-41. Stepwise calcination of MCM-41 incorporating ferrocene thereby gives rise to a sharp and intens…

Metal-Organic Frameworks: Synthesis and ApplicationsCatalytic Processes in Materials ScienceMesoporous Materials and Catalysis

Flame-retarding materials?I. Syntheses and flame-retarding property of alkylphosphate-type polyols and corresponding polyurethanes

Ping‐Lin Kuo、Jo-Ming Chang、Tzong-Liu Wang1998-08-22Journal of Applied Polymer Science

In this research, oligomeric polyalkyl phosphate-type polyols (P% = 14–17) were synthesized from ethylene glycol or 1,4-butanediol (PBE or PBB) by means of butyl phosphorodichloridate, which was prepared from phosphorus oxychloride and butanol. These polyols were then reacted with isocyanate to form the corresponding…

Flame retardant materials and propertiesSynthesis and properties of polymersThermal and Kinetic Analysis

Simulation of Non-Condon Enhancement and Interference Effects in the Resonance Raman Intensities of Metalloporphyrins

Ranjit Kumble、Thomas S. Rush、Milton E. Blackwood 等 5 位作者1998-08-22The Journal of Physical Chemistry B

The room-temperature resonance Raman (RR) spectra of nickel(II) porphine have been simulated for excitation within the Q-band optical transition, taking into account both coordinate-independent (Condon) as well as coordinate-dependent (non-Condon) contributions to the Raman scattering amplitude of each vibration. Comp…

Porphyrin and Phthalocyanine ChemistrySpectroscopy and Quantum Chemical StudiesHemoglobin structure and function

Preparation and Characterization of a Poly(β-hydroxyoctanoate) Latex Produced by Pseudomonas oleovorans

Alain Dufresne、Eric Samain1998-08-22Macromolecules

A latex of poly(β-hydroxyoctanoate) was obtained from Pseudomonas oleovorans grown at high cell density on sodium octanoate. A fermentation using a pH-stat control of octanoate concentration as well as the purification steps using sodium hypochlorite were described. It was observed that latex stabilization occurred sp…

biodegradable polymer synthesis and propertiesMicroplastics and Plastic PollutionAntimicrobial agents and applications

Zirconia-Stabilized 25-Å TiO2 Anatase Crystallites in a Mesoporous Structure

S. H. Elder、Ying Gao、X. Li 等 6 位作者1998-08-22Chemistry of Materials

We have prepared and characterized a mesoporous material where the framework, of both the as-synthesized and calcined materials, is composed of ZrO 2 -doped 25-Å TiO 2 anatase crystallites. The nanocrystalline framework is structured about a surfactant-templated, disordered porous network with a uniform pore diameter…

Catalytic Processes in Materials ScienceMesoporous Materials and CatalysisPolyoxometalates: Synthesis and Applications

Dimensionality and Fermi Surface of Low-Dimensional Metals

Enric Cañadell1998-08-22Chemistry of Materials

Low-dimensional metals exhibit a wealth of interesting phenomena associated with the special topology of their Fermi surfaces. These Fermi surfaces contain a very rich information concerning not only the dimensionality of the conductivity but also the possibility of different metal-to-insulator or metal-to-metal trans…

Polyoxometalates: Synthesis and ApplicationsOrganic and Molecular Conductors ResearchCatalysis and Oxidation Reactions

19F NMR and Structural Evidence for Spin-State Modulation of Six-Coordinate Cobalt(II) in a Weak Field Porphyrin Ligand1

В. В. Смирнов、Eric K. Woller、Stephen G. DiMagno1998-08-22Inorganic Chemistry

The syntheses and characterization of [2,3,7,8,12,13,17,18-octafluoro-5,10,15,20-tetraphenylporphinato]cobalt, Co(F(8)TPP), and [2,3,7,8,12,13,17,18-octafluoro-5,10,15,20-tetrakis(pentafluorophenyl)porphinato]cobalt, Co(F(28)TPP), are reported. Co(F(28)TPP).2tol (tol = toluene) crystallizes in the monoclinic space gro…

Magnetism in coordination complexesPorphyrin and Phthalocyanine ChemistryMetal-Catalyzed Oxygenation Mechanisms

Morphology and properties of PET/PA-6/E-44 blends

Yong‐Qing Huang、Youxi Liu、Chunhua Zhao1998-08-22Journal of Applied Polymer Science

Polymer blends incorporating poly (ethylene terephthalate) (PET), polyamide-6 (PA-6), and a reactive compatibilizer (low molecular weight bisphenol-A epoxy resin—E-44) were prepared with the following E-44 weight percent concentrations: 0, 0.3, 0.6, 1, 3, 5, and 10. The samples was studied by a scanning electron micro…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesFiber-reinforced polymer composites

Synthesis, Crystal and Network Structures, and Magnetic Properties of a Hybrid Layered Compound: [K(18-cr)(2-PrOH)2][{Mn(acacen)}2{Fe(CN)6}] (18-cr = 18-Crown-6-ether, acacen = N,N‘-Ethylenebis(acetylacetonylideneiminate))

Hitoshi Miyasaka、Hisashi Ōkawa、Akira Miyazaki 等 4 位作者1998-08-22Inorganic Chemistry

A hybrid layered compound [{K(18-cr)(2-PrOH)(2)}{Mn(acacen)}(2){Fe(CN)(6)}] has been prepared by the reaction of [Mn(acacen)(Cl)] with [K(18-cr)(H(2)O)(2)](3)[Fe(CN)(6)].3H(2)O in an ethanol/2-propanol mixed solvent (18-cr = 18-crown-6-ether, acacen = N,N'-ethylenebis(acetylacetonylideneiminate)). It crystallizes in t…

Metal-Organic Frameworks: Synthesis and ApplicationsMagnetism in coordination complexesLanthanide and Transition Metal Complexes

Magnetization of the Layer Compounds AFeIIFeIII(C2O4)3 (A = Organic Cation), in Low and High Magnetic Fields: Manifestation of Néel N and Q Type Ferrimagnetism in a Molecular Lattice

Christopher J. Nuttall、Peter Day1998-08-22Chemistry of Materials

Detailed bulk magnetization and magnetic susceptibility measurements are reported for representative examples of the series of ferrimagnetic tris-oxalato-ferrate(II,III) salts with general formula AFe II Fe III (C 2 O 4 ) 3 (A = quaternary ammonium, phosphonium, or arsonium). The compounds all crystallize in two-dimen…

Theoretical and Computational PhysicsMagnetism in coordination complexesAdvanced Condensed Matter Physics

Solution Structure of Methionine-Oxidized Amyloid β-Peptide (1−40). Does Oxidation Affect Conformational Switching?,

Andrew Watson、David P. Fairlie、David J. Craik1998-08-22Biochemistry

The solution structure of Abeta(1-40)Met(O), the methionine-oxidized form of amyloid beta-peptide Abeta(1-40), has been investigated by CD and NMR spectroscopy. Oxidation of Met35 may have implications in the aetiology of Alzheimer's disease. Circular dichroism experiments showed that whereas Abeta(1-40) and Abeta(1-4…

Alzheimer's disease research and treatmentsSupramolecular Self-Assembly in MaterialsBiochemical effects in animals

Control of Foam Formation by Antifoam during Demineralization of Crustacean Shell in Preparation of Chitin

Hong Kyoon No、Eun Young Hur1998-08-22Journal of Agricultural and Food Chemistry

The effects of antifoam on the control of foam formation during the demineralization of crab shell in the preparation of chitin were evaluated. Foam formation was markedly controlled by addition of antifoam and decreased with increasing antifoam concentrations. At 1.00 mL of antifoam/L of 1 N HCl, the performance of a…

biodegradable polymer synthesis and propertiesMinerals Flotation and Separation TechniquesPickering emulsions and particle stabilization

Widespread Interstitial Chemistry of Mn5Si3-Type and Related Phases. Hidden Impurities and Opportunities

John D. Corbett、Eduardo García Sánchez、Arnold M. Guloy 等 6 位作者1998-08-22Chemistry of Materials

The many A 5 B 3 phases that exhibit hexagonal Mn 5 Si 3 -type structures by and large have a nearly unique abilities to bind diverse heteratoms Z in a preformed cavity within a chain of confacial trigonal antiprisms of A. The historical development of this chemistry as interstitially stabilized Nowotny phases and rec…

Rare-earth and actinide compoundsIron-based superconductors researchInorganic Chemistry and Materials

Studies on the biodegradation and biocompatibility of a new poly(ester amide) derived fromL-alanine

N. Paredes、A. Rodriguez-Gal�n、J. Puiggal� 等 4 位作者1998-08-22Journal of Applied Polymer Science

A new poly(ester amide) derived from L-alanine has been synthesized and characterized. The polymer has good fiber- and film-forming properties, as well as other characteristics like thermal stability and solubility in chloroform, which enhance its processing facilities. Degradation studies show that both pH and temper…

biodegradable polymer synthesis and propertiesAntimicrobial agents and applicationsBiopolymer Synthesis and Applications

Preparation and properties of hydrogels based on hemicellulose

I. Gabrielii、Paul Gatenholm1998-08-22Journal of Applied Polymer Science

Xylan with glucuronic acid functionalities, separated from birchwood, was converted into hydrogels by dissolving it together with chitosan in acidic conditions. The hydrogels were formed at certain xylan/chitosan compositions. The mechanism of the gel formation was investigated with FTIR. Complexation between glucuron…

Hydrogels: synthesis, properties, applicationsNanocomposite Films for Food PackagingAdvanced Cellulose Research Studies

The Regulation of Escherichia coli Glutamine Synthetase Revisited: Role of 2-Ketoglutarate in the Regulation of Glutamine Synthetase Adenylylation State

Peng Jiang、James A. Peliska、Alexander J. Ninfa1998-08-22Biochemistry

The regulation of Escherichia coli glutamine synthetase (GS) by reversible adenylylation has provided one of the classical paradigms for signal transduction by cyclic cascades. Yet, many mechanistic features of this regulation remain to be elucidated. We examined the regulation of GS adenylylation state in a reconstit…

Bacterial Genetics and BiotechnologyEnzyme Structure and FunctionAmino Acid Enzymes and Metabolism