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Software Solutions for Combinatorial and High‐Throughput Materials and Polymer Research

Nico Adams、Ulrich S. Schubert2003-12-08Macromolecular Rapid Communications

Abstract Summary: Combinatorial and high‐throughput experimentation has, over the past few years, started to play an increasingly important role in the area of materials and polymer science. However, many of the informatics tools currently available to support combinatorial experimentation were developed with the need…

Chemical Synthesis and AnalysisInnovative Microfluidic and Catalytic Techniques InnovationMachine Learning in Materials Science

Mapping Surface Chemistry and Molecular Orientation with Combinatorial Near‐Edge X‐Ray Absorption Fine Structure Spectroscopy

Daniel A. Fischer、Kirill Efimenko、Rajendra R. Bhat 等 5 位作者2003-12-08Macromolecular Rapid Communications

Abstract Summary: Mapping the bond chemistry and molecular orientation of self‐assembled monolayer gradients on flat surfaces and reaction intermediates in catalyst arrays is made possible using combinatorial near‐edge X‐ray absorption fine structure (NEXAFS) spectroscopy. These spatially resolved NEXAFS maps have bee…

Quantum Dots Synthesis And PropertiesMolecular Junctions and NanostructuresSurface Chemistry and Catalysis

On the fractal character of polymer spherulites: an ultra‐small‐angle X‐ray scattering study of poly[(R)‐3‐hydroxybutyrate]

Anthony Owen、Antje Bergmann2003-12-08Polymer International

Abstract Ultra‐small‐angle X‐ray scattering (USAXS) and small‐angle X‐ray scattering (SAXS) measurements are presented for poly[( R )‐3‐hydroxybutyrate] (PHB) crystallized at room temperature. The USAXS patterns indicated that the spherulites had a radially orientated fibrillar nanostructure with fractal geometry over…

Polymer crystallization and propertiesMaterial Dynamics and PropertiesTheoretical and Computational Physics

Reactions of cellulose and wood superficial hydroxy groups with organometallic compounds

Paola Fabbri、Géraldine Champon、Maila Castellano 等 5 位作者2003-12-08Polymer International

Abstract Various lignocellulosic substrates, including microcrystalline cellulose, pinewood and hemp fibres, were treated with triethylaluminium and triethylboron in suspensions, in non‐swelling media. Chemical and spectroscopic analyses show that coupling surface reactions took place between one or two metal‐to‐carbo…

Wood Treatment and PropertiesAdvanced Cellulose Research StudiesLignin and Wood Chemistry

Towards the Rational Design of Magnetic Resonance Imaging Contrast Agents: Isolation of the Two Coordination Isomers of Lanthanide DOTA‐Type Complexes

Mark Woods、Zoltán Kovács、Shanrong Zhang 等 4 位作者2003-12-08Angewandte Chemie

Steuerung des Wasseraustauschs: Koordinationsisomere quadratischer Antiprismen (links) und verdrillter quadratischer Antiprismen (rechts) von [LnIII(dota)]-artigen Komplexen (dota=1,4,7,10-Tetraazacyclododecan-1,4,7,10-tetraessigsäure) können durch Verwendung von Ring- und Armsubstituenten mit identischer Chiralität b…

Advanced MRI Techniques and ApplicationsMagnetism in coordination complexesLanthanide and Transition Metal Complexes

Hydrogenation of acrylonitrile–butadiene rubber latexes

Shuqin Zhou、Huadong Bai、Jianguo Wang2003-12-08Journal of Applied Polymer Science

Abstract The hydrogenation of acrylonitrile–butadiene rubber (NBR) latex was carried out by a system consisting of hydrazine hydrate and hydrogen peroxide, with boric acid as catalyst. Highly saturated hydrogenated NBR (HNBR) latex was obtained through the optimization of the reaction conditions. The dried HNBR was fo…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesSynthesis and properties of polymers

Branching ratios of multiply charged ions formed through photoionization of Kr 3d, 3p and 3s sub-shells using a coincidence technique

Y. Tamenori、K. Okada、S. Tanimoto 等 8 位作者2003-12-08Journal of Physics B Atomic Molecular and Optical Physics

Multiple-charged Kr ions have been studied using monochromatized synchrotron radiation combined with a coincidence technique. The multiple-charged ions formed through ionization of the inner sub-shells were detected by a time-of-flight mass analyser and the photoelectrons emitted from those orbitals were observed by a…

Atomic and Molecular PhysicsX-ray Spectroscopy and Fluorescence AnalysisElectron and X-Ray Spectroscopy Techniques

Flame synthesis of carbon nanofibres and nanofibre composites containing encapsulated metal particles

Swarnendu Sen、Ishwar K. Puri2003-12-08Nanotechnology

We have synthesized carbon nanofibres (CNFs) in an ethylene–air flame on a stainless steel substrate. Ten-minute specimens consisted of both nodules and carbon micro- and nanofibres of various diameters up to . There are two kinds of primary fibres. The first are of nm thickness and show numerous kinks along their len…

Carbon Nanotubes in CompositesGraphene research and applicationsDiamond and Carbon-based Materials Research

Polymorphism in nylon‐11/montmorillonite nanocomposite

Guosheng Zhang、Yongjin Li、Deyue Yan2003-12-08Journal of Polymer Science Part B Polymer Physics

Abstract The polymorphism behavior in nylon‐11/montmorillonite (MMT) nanocomposite was investigated by wide‐angle X‐ray diffraction (WAXD) and variable‐temperature infrared spectroscopy. The results of WAXD and IR confirmed the presence of the γ‐crystalline form of nylon‐11, which is induced and stabilized by MMT. How…

Advanced Battery Materials and TechnologiesPolymer crystallization and propertiesPolymer Nanocomposites and Properties

Molecular dynamics study of structural and dynamical properties of amorphous Si-Ge alloys

Manabu Ishimaru、Mitsuhiro Yamaguchi、Yoshihiko Hirotsu2003-12-08Physical review. B, Condensed matter

Structural and dynamical properties of amorphous silicon-germanium $(a\ensuremath{-}{\mathrm{Si}}_{1\ensuremath{-}x}{\mathrm{Ge}}_{x})$ alloys have been examined by molecular dynamics simulations using the Tersoff interatomic potential. Amorphous networks were generated by rapid quenching from liquid ${\mathrm{Si}}_{1…

Glass properties and applicationsThin-Film Transistor TechnologiesSilicon Nanostructures and Photoluminescence

The Usefulness of Time‐Dependent Density Functional Theory to Describe the Electronic Spectra of Ti‐Containing Catalysts

Víctor A. de la Peña O’Shea、M. Carmen Capel‐Sánchez、Gema Blanco‐Brieva 等 5 位作者2003-12-08Angewandte Chemie International Edition

A good correlation between the experimental UV/Vis spectra of titanium-containing catalysts and the photophysical properties calculated using time-dependent density functional theory (TD-DFT) has been found for a ligand to metal charge transfer (LMCT) from an oxygen atom to a TiIV ion (see scheme). This finding makes…

Advanced Photocatalysis TechniquesCatalytic Processes in Materials ScienceCatalysis and Oxidation Reactions

Conductive polymer composites: Influence of extrusion conditions on positive temperature coefficient effect of poly(butylene terephthalate)/poly(olefin)–carbon black blends

Jean‐François Feller2003-12-08Journal of Applied Polymer Science

Abstract Processing conditions determine both the morphology and the carbon black (CB) distribution in conductive polymer composites (CPCs). Good control of these parameters is essential to obtain reproducible electrical properties. We found that for extruded tapes of poly(butylene terephthalate) (PBT)/poly(olefin) (O…

Advanced Sensor and Energy Harvesting MaterialsPolymer crystallization and propertiesConducting polymers and applications

Experimental and Computational Investigations of the Properties of Fluorinated Single‐Walled Carbon Nanotubes

Holger F. Bettinger2003-12-08ChemPhysChem

Fluorination of single-walled carbon nanotubes by reaction with elemental fluorine at elevated temperatures provides fluorinated single-walled carbon nanotubes (F-SWNT), which have the highest degree of functionalization (up to F/C = 1/2) of any derivatized carbon-nanotube material reported to date. Also, F-SWNTs have…

Carbon Nanotubes in CompositesGraphene research and applicationsFiber-reinforced polymer composites

Preparation and hydrogen storage properties of Mg 2 Ni intermetallic nanoparticles

Huaiyu Shao、Hairuo Xu、Yuntao Wang 等 4 位作者2003-12-08Nanotechnology

In this work we investigated the hydrogen storage properties of stoichiometric Mg 2 Ni intermetallic nanoparticles produced from Mg and Ni nanoparticles. The mean size of the Mg 2 Ni particles is about 30–50 nm and the lattice constants of the Mg 2 Ni compound are a = 5.22 Å, c = 13.29 Å. The Mg 2 Ni compound showed e…

Hydrogen Storage and MaterialsMXene and MAX Phase MaterialsAmmonia Synthesis and Nitrogen Reduction

Thermoplastic biopolyester natural fiber composites

Robert A. Shanks、A. Hodzic、Susan Wong2003-12-08Journal of Applied Polymer Science

Abstract Natural fiber–biopolymer composites have been prepared using flax and poly(3‐hydroxylbutyrate) bipolyesters (PHB). The biopolyesters consist of the homopolyester PHB and its copolymers with 5 and 12% 3‐hydroxyvalerate (PHV). These biopolymer–natural fiber composites provide structures totally composed of biod…

Natural Fiber Reinforced Compositesbiodegradable polymer synthesis and propertiesTribology and Wear Analysis

Combinatorial Methods, Automated Synthesis and High‐Throughput Screening in Polymer Research: The Evolution Continues

Michaël A. R. Meier、Richard Hoogenboom、Ulrich S. Schubert2003-12-08Macromolecular Rapid Communications

Abstract Summary: For speeding‐up preparation as well as investigating new polymeric materials, combinatorial techniques, parallel experimentation, and high‐throughput screening methods represent a very promising approach in polymer chemistry: a large variety of parameters can be screened simultaneously resulting in n…

Advanced Polymer Synthesis and CharacterizationInnovative Microfluidic and Catalytic Techniques InnovationMachine Learning in Materials Science

Functional Hybrid Devices of Proteins and Inorganic Nanoparticles

Christof M. Niemeyer2003-12-08Angewandte Chemie International Edition

The combination of inorganic nanoparticles with biological functionality, such as the ATP-triggered release of CdS nanoparticles from inclusion complexes with chaperonins (see schematic illustration), opens up innovative approaches to novel hybrid devices applicable in biomedical sensing and the fabrication of advance…

Advanced biosensing and bioanalysis techniquesQuantum Dots Synthesis And PropertiesNanocluster Synthesis and Applications

Towards the Rational Design of Magnetic Resonance Imaging Contrast Agents: Isolation of the Two Coordination Isomers of Lanthanide DOTA‐Type Complexes

Mark Woods、Zoltán Kovács、Shanrong Zhang 等 4 位作者2003-12-08Angewandte Chemie International Edition

Controlling water exchange: Square antiprism (SAP; left) and twisted square antiprism (TSAP; right) coordination isomers of LnIIIDOTA-type complexes (DOTA=1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid) may be isolated by choosing substituents on the ring and arms with identical chirality for the TSAP isomer…

Advanced MRI Techniques and ApplicationsMagnetism in coordination complexesLanthanide and Transition Metal Complexes

Oxygen vacancy mediated adsorption and reactions of molecular oxygen on theTiO2(110)surface

Xueyuan Wu、Annabella Selloni、Michele Lazzeri 等 4 位作者2003-12-08Physical review. B, Condensed matter

Using first-principles density-functional calculations we have studied the interactions of molecular oxygen with a partially reduced rutile ${\mathrm{TiO}}_{2}$ (110) surface. In agreement with experiments, a number of different ${\mathrm{O}}_{2}$ adsorption states, both molecular and dissociated, have been found. The…

Catalytic Processes in Materials ScienceSemiconductor materials and devicesElectronic and Structural Properties of Oxides

Measuring Dielectric Properties and Surface Resistance of Microwave PCBs in the K-band

Victor N. Egorov、Vladimir L. Masalov、Yuri A. Nefyodov 等 7 位作者2003-12-08arXiv

The theoretical model is fully developed and the test rig is designed for the measurements of microwave parameters of unclad and laminated dielectric substrates. The geometry of the electromagnetic field in the resonator allows dielectric measurements with electric field component orthogonal to the sample surface. The…

Materials Sciencephysics.ins-det