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Topological (Sliced) Doping of a 3D Peierls System: Predicted Structure of Doped BaBiO3

Ilka B. Bischofs、Philip B. Allen、Vladimir N. Kostur 等 4 位作者2002-06-28arXiv

At hole concentrations below x=0.4, Ba_(1-x)K_xBiO_3 is non-metallic. At x=0, pure BaBiO3 is a Peierls insulator. Very dilute holes create bipolaronic point defects in the Peierls order parameter. Here we find that the Rice-Sneddon version of Peierls theory predicts that more concentrated holes should form stacking fa…

Materials ScienceStrongly Correlated Electrons

KMC-MD Investigations of Hyperthermal Copper Deposition on Cu(111)

J. M. Pomeroy、J. Jacobsen、C. C. Hill 等 5 位作者2002-06-28arXiv

Detailed KMC-MD (kinetic Monte Carlo-molecular dynamics) simulations of hyperthermal energy (10-100 eV) copper homoepitaxy have revealed a re-entrant layer-by-layer growth mode at low temperatures (50K) and reasonable fluxes (1 ML/s). This growth mode is the result of atoms with hyperthermal kinetic energies becoming…

Materials Science

Reactive mechanical grinding of magnesium in hydrogen and the effects of additives

Jean‐Louis Bobet、B. Chevalier、Myoung Youp Song 等 5 位作者2002-06-27Materials and Manufacturing Processes

The use of reactive mechanical grinding (MG under H2) of magnesium powder improves the hydrogen sorption properties. The hydrogenation of Mg starts in situ during the milling process, thus circumventing the activation procedure that is generally required for Mg. The effects of the addition of various elements or compo…

Hydrogen Storage and MaterialsHybrid Renewable Energy SystemsAmmonia Synthesis and Nitrogen Reduction

Characterization by EXAFS of Co/MFI Catalysts Prepared by Sublimation

V. Schwartz、R. Prins、X. Wang 等 4 位作者2002-06-27The Journal of Physical Chemistry B

Catalysts have been prepared by subliming CoCl 2 or CoBr 2 vapor onto the H form of the zeolite MFI, followed by replacing the halide ions by OH groups and subsequent heat treatments. The Co sites have been characterized by EXAFS and XANES spectra at liquid nitrogen temperature. The data are correlated with the H 2 -T…

Electrocatalysts for Energy ConversionCatalytic Processes in Materials ScienceCatalysis and Oxidation Reactions

Synthesis, Characterization, and Unusual Surface Activity of a Series of Novel Architecture, Water-Dispersible Poly(fluorooxetane)s

Charles M. Kausch、Jane E. Leising、Robert E. Medsker 等 6 位作者2002-06-27Langmuir

A series of water-dispersible, surface-active poly(fluorinated oxetane)s was prepared by ring-opening polymerization of fluorinated oxetane monomers using Lewis acid catalysis. The fluorinated oxetane monomers are made by phase-transfer catalytic reaction of a fluorinated alcohol with 3-bromomethyl-3-methyloxetane. Wa…

Surface Modification and SuperhydrophobicityAdvanced Sensor and Energy Harvesting MaterialsAntimicrobial agents and applications

Synthesis of Low-Generation, Aryl-/Alkyl-Type, Nonpolar Dendrons Carrying Protected Hydroxyalkyl Groups in the Periphery

Zhishan Bo、A. Dieter Schlüter2002-06-27The Journal of Organic Chemistry

An efficient convergent synthesis of first- and second-generation aryl-/alkyl-type nonpolar dendrons via Suzuki cross-coupling is described. The dendrons carry either one or two benzyl-protected hydroxyalkyl groups/terminus. Iododesilylation reactions of aryltrimethylsilanes with iodo chloride are used as a tool for t…

Catalytic Cross-Coupling ReactionsLuminescence and Fluorescent MaterialsDendrimers and Hyperbranched Polymers

Far-Infrared Spectroscopy of the Poly(ethylene oxide)x−LiCF3SO3 System

V. A. Seneviratne、J. E. Furneaux、Roger Frech2002-06-27Macromolecules

The infrared absorption spectrum of poly(ethylene oxide)−LiCF 3 SO 3 yields two broad, distinct Li−O stretching bands (“cage” modes) between 395 and 440 cm -1 . An analysis of the integrated band intensities as a function of salt concentration demonstrates that each mode originates in the motion of all lithium ions in…

Conducting polymers and applicationsAnalytical Chemistry and SensorsSilicone and Siloxane Chemistry

Microstructure and mechanical properties of nanocomposite amorphous carbon films

P. Zhang、Beng Kang Tay、Chang Q. Sun 等 4 位作者2002-06-27Journal of Vacuum Science & Technology A Vacuum Surfaces and Films

Nanocomposite amorphous carbon films such as a-C:Al, a-C:Ti, and a-C:Si have been prepared using a filtered cathodic vacuum arc technique. The films were characterized using x-ray photoelectron spectroscopy (XPS), atomic force microscopy, surface profilometry, a nanoindenter, and Raman spectrometry. It was found that…

Metal and Thin Film MechanicsDiamond and Carbon-based Materials ResearchAdvanced materials and composites

Phase Segregation in SAN/PMMA Blends Probed by Rheology, Microscopy, and Inverse Gas Chromatography Techniques

Mosto Bousmina、A. Lavoie、Bernard Riedl2002-06-27Macromolecules

Phase segregation in the poly(styrene- co -acrylonitrile)/poly(methyl methacrylate) (SAN/PMMA) blend with lower critical solution temperature (LCST) was assessed by linear viscoelastic rheology, optical microscopy, and inverse gas chromatography (IGC) techniques for various blend compositions. At low temperatures, the…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesRheology and Fluid Dynamics Studies

The Effect of a Phosphodiester Linking Group on Albumin Binding, Blood Half-Life, and Relaxivity of Intravascular Diethylenetriaminepentaacetato Aquo Gadolinium(III) MRI Contrast Agents

Thomas J. McMurry、David J. Parmelee、Hironao Sajiki 等 14 位作者2002-06-27Journal of Medicinal Chemistry

Amphiphilic gadolinium complexes were investigated as potential magnetic resonance imaging (MRI) contrast agents. A series of complexes was synthesized in order to study the effect of hydrophilic phosphodiester groups on albumin binding, relaxivity, and blood half-life in rats. Thus, compound 11a, a diethylenetriamine…

Advanced MRI Techniques and ApplicationsLanthanide and Transition Metal ComplexesMRI in cancer diagnosis

Melt blending of ethylene‐vinyl alcohol copolymer/clay nanocomposites: Effect of the clay type and processing conditions

Natalie Artzi、Y. Nir、M. Narkis 等 4 位作者2002-06-27Journal of Polymer Science Part B Polymer Physics

Abstract Ethylene‐vinyl alcohol copolymer (EVOH)/clay nanocomposites were prepared via dynamic melt blending. The effect of the processing parameters on blends containing two clay types in different amounts was examined. The blends were characterized with a Brabender plastograph and capillary rheometer, differential s…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesPolymer Nanocomposite Synthesis and Irradiation

Alkyl and Aryl Substituted Corroles. 3. Reactions of Cofacial Cobalt Biscorroles and Porphyrin-Corroles with Pyridine and Carbon Monoxide

Karl M. Kadish、Zhongping Ou、Jianguo Shao 等 9 位作者2002-06-27Inorganic Chemistry

The synthesis and characterization of three new cofacial biscorroles and three new linked Co(II) porphyrins and Co(III) corroles with the same face to face orientation are described. The biscorroles are represented as (BCS)Co(2), (BCO)Co(2), (BCX)Co(2) while the porphyrin-corrole dyads are represented as (PCA)Co(2), (…

Porphyrin and Phthalocyanine ChemistryMetal-Catalyzed Oxygenation MechanismsSurface Chemistry and Catalysis

Crystal Structure of d-Hydantoinase from Bacillus stearothermophilus: Insight into the Stereochemistry of Enantioselectivity,

Young-Hoon Cheon、Hak‐Sung Kim、Kil-Hwan Han 等 8 位作者2002-06-27Biochemistry

Industrial production of antibiotics, such as semisynthetic penicillins and cephalosporins, requires optically pure D-p-hydroxylphenylglycine and its derivatives as important side-chain precursors. To produce optically pure D-amino acids, microbial D-hydantoinase (E.C. 3.5.2.2) is used for stereospecific hydrolysis of…

Enzyme Structure and FunctionAmino Acid Enzymes and MetabolismBiochemical and Molecular Research

Bacterial Cellulose Production Using Monosaccharides Derived from Hemicelluloses in Water-Soluble Fraction of Waste Liquor from Atmospheric Acetic Acid Pulping

Yasumitsu Uraki、Mitsuhiko Morito、Takao Kishimoto 等 4 位作者2002-06-27Holzforschung

Summary The water-soluble fraction (WS) from waste liquor of atmospheric acetic acid pulping was analyzed in order to explore its potential utilization as a carbon source for bacterial cellulose (BC) production. The unpurified WS that contained colored compounds had appreciable antibacterial activity and was therefore…

Biofuel production and bioconversionAdvanced Cellulose Research StudiesLignin and Wood Chemistry

Comparison of Yttrium and Indium Complexes of DOTA-BA and DOTA-MBA: Models for 90Y- and 111In-Labeled DOTA−Biomolecule Conjugates

Shuang Liu、John Pietryka、Charles Ellars 等 4 位作者2002-06-27Bioconjugate Chemistry

Yttrium and indium complexes of 1,4,7,10-tetraaza-4,7,10-tris(carboxymethyl)-1-cyclododecylacetylbenzylamine (DOTA-BA) and 1,4,7,10-tetraaza-4,7,10-tris(carboxymethyl)-1-cyclododecylacetyl-R-(+)-alpha-methylbenzylamine (DOTA-MBA) were prepared in order to study solution structures of (90)Y- and (111)In-labeled DOTA-bi…

Medical Imaging Techniques and ApplicationsLanthanide and Transition Metal ComplexesRadiopharmaceutical Chemistry and Applications

Isocyanate Formation in the Catalytic Reaction of CO + NO on Pd(111): An in Situ Infrared Spectroscopic Study at Elevated Pressures

Emrah Özensoy、Christian Heß、D. Wayne Goodman2002-06-27Journal of the American Chemical Society

The catalytic CO + NO reaction to form CO2, N2, and N2O has been studied on a Pd(111) surface at pressures up to 240 mbar using in situ polarization modulation infrared reflection absorption spectroscopy (PM-IRAS). At 240 mbar, for a pressure ratio of PCO:PNO = 3:2 and under reaction conditions, besides adsorbed CO, t…

Advanced Chemical Physics StudiesCatalytic Processes in Materials ScienceCatalysis and Oxidation Reactions

Electrochemical fabrication of aligned microtubular heterojunctions of poly(p-phenylene) and polythiophene

Mingxiao Fu、Fengen Chen、Jiaxin Zhang 等 4 位作者2002-06-27Journal of Materials Chemistry

Aligned microtubular heterojunctions of poly(p-phenylene) (PPP) and polythiophene (PTh) were fabricated by successive electrochemical oxidations of benzene and thiophene in freshly distilled boron trifluoride–diethyl ether (BFEE) solution and using a microporous alumina membrane with pores of 200 nm diameter as the te…

Organic Electronics and PhotovoltaicsConducting polymers and applicationsMolecular Junctions and Nanostructures

Biomimetic Synthesis of a Water Soluble Conducting Molecular Complex of Polyaniline and Lignosulfonate

Sucharita Roy、Jacqueline M. Fortier、Ramaswamy Nagarajan 等 7 位作者2002-06-27Biomacromolecules

A new biomimetic route for the synthesis of a conducting molecular complex of polyaniline (Pani) and a natural polyelectrolyte, lignosulfonate (LGS) is presented. A poly(ethylene glycol) modified hematin (PEG-hematin) was used to catalyze the polymerization of aniline in the presence of LGS to form a Pani/LGS complex.…

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

Reflectivity and Microwave Absorption in Crystals with Alternating Intrinsic Josephson Junctions

Ch. Helm、L. N. Bulaevskii、E. M. Chudnovsky 等 4 位作者2002-06-27arXiv

We compute the frequency and magnetic field dependencies of the reflectivity $R(ω)$ in layered superconductors with two alternating intrinsic Josephson junctions with different critical current densities and quasiparticle conductivities for the electric field polarized along the c-axis. The parameter $α$ describing th…

Materials ScienceSuperconductivityphysics.optics

Quantum and thermal phase transitions in the Bechgaard salts and their analogs

Hiromitsu Hori、Shoji Yamamoto2002-06-27arXiv

In order to investigate quantum and thermal phase transitions in the Bechgaard salts and their sulfur analogs, we perform finite-temperature Hartree-Fock calculations in one dimension with particular emphasis on the interplay between charge ordering and lattice instability. The coexisting charge- and spin-density-wave…

Materials ScienceStrongly Correlated Electrons