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Theory of Coexistence of Charge-Ordering and Antiferromagnetic Phases in R 0.5 A 0.5 MnO 3

Shao JianFei、Tian Guang-Shan、Lin TsungHan2000-04-30Communications in Theoretical Physics

Based on a model Hamiltonian with the nearest-neighbor Coulomb interaction of the itinerant e g electrons, we investigated the possibility of the coexistence of the charge-ordering phase and the antiferromagnetic phase for the manganites R 1-x A x MnO 3 with the doping of x = 0.5. Three different types of the magnetic…

Physics of Superconductivity and MagnetismMagnetic and transport properties of perovskites and related materialsMultiferroics and related materials

Fully polarizable QM/MM calculations: An application to the nonbonded iodine-oxygen interaction in dimethyl-2-iodobenzoylphosphonate

Stuart R. Gooding、Peter J. Winn、Richard I. Maurer 等 8 位作者2000-04-30Journal of Computational Chemistry

The compound dimethyl-2-iodobenzoylphosphonate is unusual in that it forms well-ordered crystals that clearly show short iodine-oxygen interactions in which both the iodine and the oxygen are in their normal oxidation states. These interactions were studied using a new hybrid quantum mechanical–molecular mechanical ap…

Advanced NMR Techniques and ApplicationsSolid-state spectroscopy and crystallographyElectron Spin Resonance Studies

Umklapp Scattering and Heat Conductivity of Superlattices

M. V. Simkin、G. D. Mahan2000-04-30arXiv

The mean free path of phonons in superlattices is estimated. It is shown to be strongly dependent on the superlattice period due to the Umklapp scattering in subbands. It first falls with increasing the superlattice period until it becomes comparable with the latter after what it rises back to the bulk value. Similar…

Materials Science

Copper Dissolution Behavior in Acidic Iodate Solutions

Qiuliang Luo2000-04-29Langmuir

Copper dissolution was investigated using electrochemical techniques including potentiodynamic scans and electrochemical quartz crystal analysis. The adsorption of iodate on a copper surface depends on the solution pH and the concentration of iodate. IO 3 - behaves both as an oxidizer and a passivating agent for coppe…

Semiconductor materials and devicesCopper-based nanomaterials and applicationsAnodic Oxide Films and Nanostructures

Formation of Formate in the Deep Oxidation of Methanol on Pt(111) under UHV Condition Studied by IRAS

Makoto Endo、Taketoshi Matsumoto、Jun Kubota 等 5 位作者2000-04-29The Journal of Physical Chemistry B

The reaction of methanol with oxygen on Pt(111) under ultrahigh vacuum condition has been investigated by infrared reflection absorption spectroscopy (IRAS). Molecular and atomic states of adsorbed oxygen existed on the Pt(111) surface, and the adsorption of oxygen at 100 K gave molecularly adsorbed oxygen that dissoc…

Electrocatalysts for Energy ConversionCatalytic Processes in Materials ScienceCatalysis and Oxidation Reactions

Enhanced Intersystem Crossing in Gable-Type Copper(II) Porphyrin−Free Base Porphyrin Dimers: Evidence of Through-Bond Exchange Interaction

Namiki Toyama、Motoko Asano-Someda、Takatoshi Ichino 等 4 位作者2000-04-29The Journal of Physical Chemistry A

Spacer dependence of intersystem crossing (ISC) affected by a remote metal unpaired electron was studied in a series of copper(II) porphyrin−free base porphyrin dimers. In these dimers, fluorescence of the free base moiety is remarkably quenched by the copper counterpart which is linked via a phenanthrene, a naphthale…

Photosynthetic Processes and MechanismsPorphyrin and Phthalocyanine ChemistryPhotochemistry and Electron Transfer Studies

Long-Term Volume Relaxation of Bisphenol A Polycarbonate and Atactic Polystyrene

Christopher G. Robertson、Garth L. Wilkes2000-04-29Macromolecules

ADVERTISEMENT RETURN TO ISSUEPREVCommunication to the...Communication to the EditorNEXTLong-Term Volume Relaxation of Bisphenol A Polycarbonate and Atactic PolystyreneChristopher G. Robertson and Garth L. WilkesView Author Information Polymer Materials and Interfaces Laboratory, Chemical Engineering Department, Virgin…

Polymer crystallization and propertiesMaterial Dynamics and PropertiesPolymer Nanocomposites and Properties

Modulated Supramolecular Assemblies Composed of Tripeptide Derivatives: Formation of Micrometer-Scale Rods, Nanometer-Size Needles, and Regular Patterns with Molecular-Level Flatness from the Same Compound

Katsuhiko Ariga、Jun‐ichi Kikuchi、Masanobu Naito 等 5 位作者2000-04-29Langmuir

In this paper, we demonstrated that supramolecular structures of amphiphilic tripeptides can be effectively modulated by selecting the appropriate casting solvents. The tripeptide derivatives having an ammonium head and hydrophobic tails were dispersed in three kinds of solvents (nonpolar, medium nonpolar, and polar)…

Chemical Synthesis and AnalysisSupramolecular Self-Assembly in MaterialsPolydiacetylene-based materials and applications

Nonisothermal Crystallization of Isotactic Polypropylene Blended with Poly(α-pinene). 2. Growth Rates

Maria Laura Di Lorenzo、Sossio Cimmino、Clara Silvestre2000-04-29Macromolecules

The influence of the poly(α-pinene), a natural polyterpene, on growth rate of isotactic polypropylene spherulites was investigated using a dynamic solidification method. It was shown that the use of a constant cooling rate allows the obtainment of reliable growth rate data and permits one to enormously enlarge the ran…

Polymer crystallization and propertiesPolymer Nanocomposites and Propertiesbiodegradable polymer synthesis and properties

Core−Shell Double Gyroid Morphologies in ABC Triblock Copolymers with Different Chain Topologies

Hanno Hückstädt、Thorsten Goldacker、Astrid Göpfert 等 4 位作者2000-04-29Macromolecules

The existence of the core−shell double gyroid morphology is proven by transmission electron microscopy and computer simulation for a linear SBV triblock copolymer and a SBV heteroarm star terpolymer, where S is polystyrene, B is poly(1,2-butadiene), and V is poly(2-vinylpyridine).

Surfactants and Colloidal SystemsPolymer Surface Interaction StudiesBlock Copolymer Self-Assembly

Mesoscopic Simulation of Drops in Gravitational and Shear Fields

Alec T. Clark、Moti Lal、J. Noel Ruddock 等 4 位作者2000-04-29Langmuir

In seeking validation of Dissipative Particle Dynamics (DPD) for the mesoscopic modeling of multiphase fluid−fluid systems in external fields, simulations of a pendant drop and a drop in simple shear flow have been performed. The shape profile of the simulated pendant drop was found to be in perfect agreement with tha…

Surface Modification and SuperhydrophobicityRheology and Fluid Dynamics StudiesFluid Dynamics and Heat Transfer

Determination of the Flory−Huggins Interaction Parameter of Styrene and 4-Vinylpyridine Using Copolymer Blends of Poly(styrene-co-4-vinylpyridine) and Polystyrene

Gert O. R. Alberda van Ekenstein、R.H.B. Meyboom、Gerrit ten Brinke 等 4 位作者2000-04-29Macromolecules

On the basis of the experimentally determined phase behavior in blends of polystyrene and random copolymers of styrene and 4-vinylpyridine, i.e., P(S x - co -4VP 1 - x )/PS, the Flory−Huggins interaction parameter is demonstrated to satisfy 0.30 < χ S,4VP ≤ 0.35. This value is substantially smaller than reported befor…

Material Dynamics and PropertiesTheoretical and Computational PhysicsBlock Copolymer Self-Assembly

Existence of Posner's Cluster in Vacuum

Gabin Treboux、Pierre Layrolle、Noriko Kanzaki 等 5 位作者2000-04-29The Journal of Physical Chemistry A

Using ab initio methods, a single isomer of D 3 h symmetry was found to be preeminent on the Ca 3 (PO 4 ) 2 cluster potential energy surface. This isomer has the distinct feature that each calcium atom is surrounded by four oxygen atoms. We studied the aggregation of this isomer in the [Ca 3 (PO 4 ) 2 ] n systemwith n…

Luminescence Properties of Advanced MaterialsCrystal Structures and PropertiesThermal and Kinetic Analysis

Direct Polycondensation of Carboxylic Acids and Amines Catalyzed by 3,4,5-Trifluorophenylboronic Acid

Kazuaki Ishihara、Suguru Ohara、Hisashi Yamamoto2000-04-29Macromolecules

ADVERTISEMENT RETURN TO ISSUEPREVCommunication to the...Communication to the EditorNEXTDirect Polycondensation of Carboxylic Acids and Amines Catalyzed by 3,4,5-Trifluorophenylboronic AcidKazuaki Ishihara, Suguru Ohara, and Hisashi YamamotoView Author Information Graduate School of Engineering, Nagoya University, Rese…

Synthetic Organic Chemistry MethodsSynthesis and properties of polymersSilicone and Siloxane Chemistry

Production of WS2 Nanotubes

Yanqiu Zhu、Wen Kuang Hsu、Nicole Grobert 等 9 位作者2000-04-29Chemistry of Materials

Using a simplified in-situ process, we have successfully generated relatively long IF WS2 nanotubes, in good yield and purity. The nanotubes are formed directly from WOx nanorods created from W and SiO2 during the first stage. Structural similarities and differences between IF nanotubes and carbon nanotubes have been…

2D Materials and ApplicationsBoron and Carbon Nanomaterials ResearchMXene and MAX Phase Materials

Polystyrene with Dendritic Branching by Convergent Living Anionic Polymerization

Daniel M. Knauss、Hasan A. Al‐Muallem、Tianzi Huang 等 4 位作者2000-04-29Macromolecules

The synthesis of two types of polystyrene with dendritic branching was achieved through the development of a novel method that combines living anionic polymerization with a convergent process in a one-pot reaction. The method is based on the slow addition of a reactant such as 4-(chlorodimethylsilyl)styrene (CDMSS), w…

RNA Interference and Gene DeliveryPolymer Surface Interaction StudiesDendrimers and Hyperbranched Polymers

Synthesis and Characterization of Lactic Acid Based Poly(ester−amide)

Jukka Tuominen、Jukka Seppälä2000-04-29Macromolecules

The effects of polymerization temperature and the amount of chain extender, 2,2‘-bis(2-oxazoline), on the synthesis of lactic acid based poly(ester−amide) (PEA) were studied. High molecular weight polymer was produced only within a narrow range of polymerization parameters. The highest molecular weights were achieved…

biodegradable polymer synthesis and propertiesSynthesis and properties of polymersSilicone and Siloxane Chemistry

Surface Spectroscopic Study of the Stabilization Mechanism for Shape-Selectively Synthesized Nanostructured Transition Metal Colloids

John S. Bradley、B. Tesche、Wilma Busser 等 5 位作者2000-04-29Journal of the American Chemical Society

Nanoscale palladium and nickel colloids prepared in the presence of certain tetra- n -octylammonium carboxylates contain a high proportion of nonequilibrium trigonal cross section particles. Specifically, those carboxylates which bear a hydroxy function at the α -position, e.g., tetra- n -octylammonium glycolate, exer…

Iron oxide chemistry and applicationsAnodic Oxide Films and NanostructuresNanoporous metals and alloys

Linear Viscoelasticity of Disordered Polystyrene−Polyisoprene Block Copolymer Based Layered-Silicate Nanocomposites

Jiaxiang Ren、Adriana S. Silva、Ramanan Krishnamoorti2000-04-29OpenAlex

The melt-state linear viscoelastic properties for a series of intercalated nanocomposites are examined. The nanocomposites are based on a short disordered polystyrene−polyisoprene diblock copolymer and varying amounts of dimethyldioctadecylammonium modified montmorillonite. The linear dynamic oscillatory moduli and th…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesPolymer composites and self-healing

Fabrication of Microporous Thin Films from Polyelectrolyte Multilayers

Jonas D. Mendelsohn、Christopher J. Barrett、Vivcent Chan 等 6 位作者2000-04-29OpenAlex

A simple process has been developed to create large area, highly uniform microporous thin films. Multilayers of weak polyelectrolytes were assembled onto silicon substrates by the sequential adsorption of poly(acrylic acid) and poly(allylamine) from aqueous solution. These multilayers were then immersed briefly into a…

Hydrogels: synthesis, properties, applicationsElectrospun Nanofibers in Biomedical ApplicationsPolymer Surface Interaction Studies