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Molecular Simulation of Ultrathin Polymeric Films near the Glass Transition

J. Andres Torres、Paul F. Nealey、Juan Pablo2000-10-09OpenAlex

Properties such as the glass transition temperature ( T(g)) and the diffusion coefficient of ultrathin polymeric films are shown to depend on the dimensions of the system. In this work, a hard-sphere molecular dynamics methodology has been applied to simulate such systems. We investigate the influence that substrates…

Phase Equilibria and ThermodynamicsMaterial Dynamics and PropertiesIonic liquids properties and applications

Correlation between Fluorescence Intermittency and Spectral Diffusion in Single Semiconductor Quantum Dots

R. Neuhäuser、Kouichi Shimizu、Wing-Keung Woo 等 5 位作者2000-10-09OpenAlex

We find a correlation between the dynamics of fluorescence intermittency and spectral diffusion in the spectroscopy of single CdSe nanocrystal quantum dots (QD). A statistical analysis of the data suggests two populations of blinking events: blinking followed by large spectral diffusion shifts and blinking with small…

Semiconductor Quantum Structures and DevicesQuantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin Films

Supercapacitor electrodes from multiwalled carbon nanotubes

Elżbieta Frąckowiak、K. Méténier、Valérie Bertagna 等 4 位作者2000-10-09OpenAlex

Electrochemical characteristics of supercapacitors built from multiwalled carbon nanotubes electrodes have been investigated and correlated with microtexture and elemental composition of the materials. Capacitance has been estimated by cyclovoltammetry at different scan rates from 1 to 10 mV/s, galvanostatic discharge…

Carbon Nanotubes in CompositesSupercapacitor Materials and FabricationConducting polymers and applications

Inelastic light scattering in B2O3 glasses with different thermal histories

N. V. Surovtsev、J. Wiedersich、Anton Batalov 等 6 位作者2000-10-08The Journal of Chemical Physics

This contribution presents a systematic light scattering study of a series of boron oxide glasses which are characterized by different thermal histories. The thermal treatment was obtained by annealing the samples close to the glass transition temperature for times of several hours. Both low-frequency (0.1–30 cm−1) an…

Material Dynamics and PropertiesGlass properties and applicationsPhase-change materials and chalcogenides

Phase equilibria in the polydisperse Zwanzig model of hard rods

Nigel Clarke、José A. Cuesta、Richard Sear 等 5 位作者2000-10-08The Journal of Chemical Physics

We study the phase behavior of the Zwanzig model of suspensions of hard rods, allowing for polydispersity in the lengths of the rods. In spite of the simplified nature of the model (rods are restricted to lie along one of three orthogonal axes), the results agree qualitatively with experimental observations: the coexi…

Liquid Crystal Research AdvancementsMaterial Dynamics and PropertiesBlock Copolymer Self-Assembly

Applications and generalizations of the foam drainage equation

S. J. Cox、D. Weaire、Stefan Hutzler 等 6 位作者2000-10-08Proceedings of the Royal Society A Mathematical Physical and Engineering Sciences

Some new analytic results concerning the foam drainage equation are described. The temporal approach to the equilibrium profile of the foam is shown to be exponential, in agreement with numerical calculations. The effect of including the equilibrium distribution of the liquid fraction as an initial condition is discus…

Enhanced Oil Recovery TechniquesGeological formations and processesPickering emulsions and particle stabilization

Fourier transform infrared study of the pressure and laser induced polymerization of solid acetylene

Matteo Ceppatelli、Mario Santoro、Roberto Bini 等 4 位作者2000-10-08The Journal of Chemical Physics

The polymerization of solid acetylene under pressure has been studied by Fourier transform infrared (FTIR) spectroscopy. Controlled laser irradiation cycles and the employment of infrared sensors to measure the sample pressure, allowed to separate the photochemical and the pressure effect on the injection and on the e…

Organic Electronics and PhotovoltaicsPolymer composites and self-healingPhotochemistry and Electron Transfer Studies

Do thermotropic biaxial nematics exist? A Monte Carlo study of biaxial Gay–Berne particles

Roberto Berardi、Claudio Zannoni2000-10-08The Journal of Chemical Physics

We have investigated with extensive Monte Carlo simulations in the isothermal isobaric ensemble a system of N=8192 elongated attractive-repulsive biaxial Gay–Berne (GB) particles. We have found uniaxial and biaxial nematic phases and a biaxial orthogonal smectic phase in this thermotropic model system.

Liquid Crystal Research AdvancementsMaterial Dynamics and PropertiesSurfactants and Colloidal Systems

Role of entropy barriers for diffusion in the periodic potential

O. M. Braun2000-10-08arXiv

Diffusion of a particle in the N-dimensional external potential which is periodic in one dimension and unbounded in the other N-1 dimensions is investigated. We find an analytical expression for the overdamped diffusion and study numerically the cases of moderate and low damping. We show that in the underdamped limit,…

Materials Sciencecond-mat.stat-mech

Cation- and Solvent-Induced Formation of Supramolecular Structures Composed of Crown-Ether Substituted Double-Decker Phthalocyanine Radicals

Naoto Ishikawa、Youkoh Kaizu2000-10-07The Journal of Physical Chemistry A

Geometric structures of three types of supramolecular aggregates composed of bis(phthalocyaninato)lutetium (Lu(Pc) 2 ) radicals are investigated by means of ESR measurements and theoretical calculations. The tetra-crown-substituted complex, Lu(CR 4 Pc)(Pc) (CR 4 Pc = tetra-15-crown-5 substituted Pc), forms an aggregat…

Magnetism in coordination complexesPorphyrin and Phthalocyanine ChemistryMetal-Catalyzed Oxygenation Mechanisms

Hydrothermal Formation and Growth of Single- and Double-Layer BaTiO3 and SrTiO3 Films on the Flexible Polymer Film Substrates from Sol−Gel Amorphous Titanium Oxide Films

Wu、Naoki Kumagai、Masahiro Yoshimura2000-10-07Chemistry of Materials

Polycrystalline single- and double-layer BaTiO 3 (BT) and SrTiO 3 (ST) films on flexible polymer films were synthesized by hydrothermal treatments of sol−gel amorphous titanium oxide films with M(OH) 2 (M = Ba, Sr) aqueous solutions from 60 to 150 °C. The amorphous titanium oxide films were prepared by a dip-coating m…

TiO2 Photocatalysis and Solar CellsFerroelectric and Piezoelectric MaterialsElectronic and Structural Properties of Oxides

Influence of Alkyl Chain Length on the Crystal Structures and Optical SHG of N-n-Alkyl-2,4-dinitroanilines: Role of Dipolar and Dispersion Energies

Palash Gangopadhyay、T. P. Radhakrishnan2000-10-07Chemistry of Materials

The length of alkyl chains attached to NLO chromophores exerts a critical control on their crystal structures and SHG capability. Systems with short as well as long alkyl chains form centrosymmetric lattices whereas those with chains of intermediate length, typically butyl chains, form noncentrosymmetric lattices and…

Crystallography and molecular interactionsNonlinear Optical Materials ResearchSolid-state spectroscopy and crystallography

New Chiral Binaphthyl Building Blocks: Synthesis of the First Optically Active Tetrathiafulvalene and 11,11,12,12-Tetracyano-9,10-anthraquinodimethane Dimers

Rafael Gómez、José L. Segura、Nazario Martı́n2000-10-07The Journal of Organic Chemistry

New enantiomerically pure binaphthyl derivatives bearing triphenylphosphine or phosphonate groups have been synthesized and used as building blocks to prepare the first optically active TTF and TCAQ dimers. Due to the restricted rotation of the two naphthalene rings, binaphthyl derivatives are ideal candidates to be u…

Crystallography and molecular interactionsOrganic and Molecular Conductors ResearchAxial and Atropisomeric Chirality Synthesis

Structure of a Murine Cytoplasmic Serine Hydroxymethyltransferase Quinonoid Ternary Complex: Evidence for Asymmetric Obligate Dimers

Doletha M. E. Szebenyi、Xiaowen Liu、I.A. Kriksunov 等 5 位作者2000-10-07Biochemistry

Serine hydroxymethyltransferase (SHMT) is a pyridoxal phosphate-dependent enzyme that catalyzes the reversible conversion of serine and tetrahydrofolate to glycine and methylenetetrahydrofolate. This reaction generates single carbon units for purine, thymidine, and methionine biosynthesis. The enzyme is a homotetramer…

Enzyme Structure and FunctionAmino Acid Enzymes and MetabolismBiochemical and Molecular Research

Powder Synthesis and Characterization of Amorphous Carbon Nitride

Valéry N. Khabashesku、John L. Zimmerman、John L. Margrave2000-10-07OpenAlex

Carbon nitride powder has been prepared by solid-state reaction between cyanuric chloride or its fluoro analogue and lithium nitride. The determined, by elemental analysis, atomic N/C ratio (1.33) in the synthesized material is entirely consistent with the C 3 N 4 stoichiometry. Combined material characterization data…

Advanced ceramic materials synthesisDiamond and Carbon-based Materials ResearchBoron and Carbon Nanomaterials Research

Heat Capacities of the S = 1/2 Two-Dimensional Heisenberg Antiferromagnet Bis(2-amino-5-chloropyridinium) Tetrabromocuprate(II) [(5CAP)2CuBr4] and Its Diamagnetic Analogue [(5CAP)2ZnBr4]

Tetsuya Matsumoto、Yuji Miyazaki、A. S. Albrecht 等 6 位作者2000-10-06The Journal of Physical Chemistry B

Heat capacities of the spin quantum number S = 1 / 2 two-dimensional Heisenberg antiferromagnet bis(2-amino-5-chloropyridinium) tetrabromocuprate(II) [(5CAP) 2 CuBr 4 ] crystal and its nonmagnetic analogue, the bis(2-amino-5-chloropyridinium) tetrabromozincate(II) [(5CAP) 2 ZnBr 4 ] crystal, were measured by adiabatic…

Physics of Superconductivity and MagnetismOrganic and Molecular Conductors ResearchSolid-state spectroscopy and crystallography

Size-dependent optical edge shifts and electrical conduction behaviour of RF magnetron sputtered CdTe nanocrystals:TiO2composite thin films

A. C. Rastogi、Shailesh Narain Sharma、Sandeep Kohli2000-10-06Semiconductor Science and Technology

CdTe nanocrystals sequestered and passivated in an amorphous TiO 2 thin film matrix have been prepared by RF sputtering from a composite TiO 2 :CdTe target. The CdTe nanocrystal size and volume fraction increases from 15 to 40 nm and 2 to 20% respectively as the film thickness increases, typically from 0.05 to 0.25 µm…

Quantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin FilmsSemiconductor materials and interfaces

Supramolecular Photochirogenesis. 2. Enantiodifferentiating Photoisomerization of Cyclooctene Included and Sensitized by 6-O-Modified Cyclodextrins

Yoshihisa Inoue、Takehiko Wada、Norimitsu Sugahara 等 9 位作者2000-10-06The Journal of Organic Chemistry

Supramolecular enantiodifferentiating photoisomerization of (Z)-cyclooctene (1Z) to the chiral (E)-isomer (1E) via inclusion and sensitization by modified alpha-, beta-, and/or gamma-cyclodextrin derivatives, possessing benzoate (2a, 3a, 4a), isomeric phthalates (3b-d), and tethered benzamide (3e) chromophores, has be…

Supramolecular Chemistry and ComplexesPorphyrin and Phthalocyanine ChemistryPhotochromic and Fluorescence Chemistry