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First-principles calculations of intrinsic defects inAl2O3

Katsuyuki Matsunaga、Tomohito Tanaka、Takahisa Yamamoto 等 4 位作者2003-08-25OpenAlex

First-principles plane-wave pseudopotential calculations were performed to study electronic structures, structural relaxation, and energetics of intrinsic vacancies and interstitials in ${\mathrm{Al}}_{2}{\mathrm{O}}_{3}.$ In the presence of the intrinsic point defects, extra levels appeared in the band gap. Consideri…

ZnO doping and propertiesSemiconductor materials and devicesSemiconductor materials and interfaces

X-ray Structures and Complete NMR Assignment by DFT Calculations of [Os(bpy)2(CO)Cl]PF6 and [Os(bpy)2(CO)H]PF6 Complexes

Roberto Gobetto、Carlo Nervi、B. Romanin 等 6 位作者2003-08-23Organometallics

The X-ray structures of [Os(bpy) 2 (CO)(Cl)][(PF 6 )] ( 1 ) and [Os(bpy) 2 (CO)(H)][(PF 6 )] ( 2 ) (where bpy = 2,2‘-bipyridine) have been solved. In complex 1, belonging to the C 2/ c space group, the Cl - and CO ligands are statically disordered along two almost orthogonal directions, and this disorder may be explai…

Metal complexes synthesis and propertiesMagnetism in coordination complexesLanthanide and Transition Metal Complexes

Alignment of Conjugated Polymers in a Nematic Liquid-Crystal Host

Karolina P. Fritz、Gregory D. Scholes2003-08-23The Journal of Physical Chemistry B

A general procedure, solvent-induced homogeneous dispersion, SIHD, is presented to incorporate and align conjugated polymers into a nematic liquid-crystal host. We report the investigation of the dye, N‘,N‘-bis(2,6 dimethylphenyl)-3,4,9,10, perylenetetracarboxylic dimide (PERY), and a conjugated polymer, poly[2-(2‘eth…

Organic Electronics and PhotovoltaicsLiquid Crystal Research AdvancementsLuminescence and Fluorescent Materials

Thermal Deformation Behavior of Triaxial Woven Fabric (TWF) Composites with Open Holes

Qi Zhao、Suong V. Hoa2003-08-23Journal of Composite Materials

Thermal deformation behavior of Triaxial Woven Fabric (TWF) composites is modeled herein using Super-Finite-Elements proposed previously. Thermal deformation behavior and Thermal Expansion Coefficients (TECs) of the TWF composites are evaluated. Effects of the aspect ratios and size of the panels on the TECs are studi…

Textile materials and evaluationsStructural Analysis and OptimizationStructural Analysis of Composite Materials

A Novel Aspect on Structural Formation of Physical Gels

Che‐Min Chou、Po‐Da Hong2003-08-23Macromolecules

By using the time-resolved small angle light scattering (TRSALS) technique, we present the first real-time measurement of the physical gelation process for a crystalline polymer. The finding is that the light scattering patterns show a unique feature in the H v and the V v scattering for PVDF gel electrolytes. More si…

Phase Equilibria and ThermodynamicsMaterial Dynamics and PropertiesRheology and Fluid Dynamics Studies

Mechanisms of Hydrodynamically Induced In-Plane Deformation of Reinforcement Textiles in Resin Injection Processes

A. Endruweit、Saskia Maria Gehrig、Paolo Ermanni2003-08-23Journal of Composite Materials

The effects of hydrodynamically induced textile deformation during resin injection in Liquid Composites Molding processes have been experimentally investigated for various fiber volume fractions in a rectangular flow channel with linear injection gate. For layups from bi-directional ±45° engineered glass fiber fabric,…

Mechanical Behavior of CompositesTextile materials and evaluationsMaterial Properties and Processing

Study of the Ferroelectric Liquid Crystal 11EB1M7 by Means of 2H NMR

Donata Catalano、Leonardo Chiezzi、Valentina Domenici 等 5 位作者2003-08-23The Journal of Physical Chemistry B

In this work, a new procedure for the synthesis of the selectively deuterium-labeled chiral liquid crystal (+)-( S )-4-[4‘-(1-methylheptyloxy)] biphenyl 4-(10-undecenyloxy)benzoate (11EB1M7) has been developed, aimed to the study of its structure, orientational ordering, and dynamic behavior by means of 2 H NMR. 11EB1…

Liquid Crystal Research AdvancementsSurfactants and Colloidal SystemsMolecular spectroscopy and chirality

Structural, Electrical, and Magnetic Properties of a Series of Molecular Conductors Based on BDT-TTP and Lanthanoid Nitrate Complex Anions (BDT-TTP = 2,5-Bis(1,3-dithiol-2-ylidene)-1,3,4,6-tetrathiapentalene)

Hengbo Cui、Takeo Otsuka、Akiko Kobayashi 等 7 位作者2003-08-23Inorganic Chemistry

The platelike crystals of a series of novel molecular conductors, which are based on the pi-donor molecules BDT-TTP (2,5-bis(1,3-dithiol-2-ylidene)-1,3,4,6-tetrathiapentalene) with a tetrathiapentalene skeleton and lanthanide nitrate complex anions [Ln(NO3)x](3-x)(Ln = La, Ce, (Pr), Tb, Dy, Ho, Er, Tm, Yb, Lu) with lo…

Perovskite Materials and ApplicationsMagnetism in coordination complexesOrganic and Molecular Conductors Research

A Surface Modification Approach to the Patterned Assembly of Single-Walled Carbon Nanomaterials

Jin Zhu、Masako Yudasaka、Minfang Zhang 等 5 位作者2003-08-23Nano Letters

A surface modification strategy has been employed for the patterned assembly of single-walled carbon nanomaterials onto oxide surfaces. The method relies on distinct molecular recognition properties of different functional groups toward the carbon graphitic structure. The surface modification starts with reactions bet…

Carbon Nanotubes in CompositesNanopore and Nanochannel Transport StudiesNeuroscience and Neural Engineering

Physical Properties of Microbial Polythioesters: Characterization of Poly(3-mercaptoalkanoates) Synthesized by Engineered Escherichia coli

Jumpei Kawada、Tina Lütke‐Eversloh、Alexander Steinbüchel 等 4 位作者2003-08-23Biomacromolecules

Physical properties of chiral poly(thioesters), PTEs, prepared by engineered Escherichia coli, were examined by GPC, 13C CP/MAS solid-state NMR, X-ray diffraction, and thermal analysis. Microbial homopolymers of PTEs, poly(3-mercaptopropionate), PMP, and poly(3-mercaptovalerate), PMV, showed different solubility chara…

biodegradable polymer synthesis and propertiesCarbon dioxide utilization in catalysis

Novel Route to Periodic Mesoporous Aminosilicas, PMAs: Ammonolysis of Periodic Mesoporous Organosilicas

Tewodros Asefa、Michał Kruk、Neil Coombs 等 7 位作者2003-08-23Journal of the American Chemical Society

A new route to periodic mesoporous aminosilicas (PMAs) that contain amine functional groups in the framework of a mesoporous network is reported. The materials are prepared via thermal ammonolysis of periodic mesoporous organosilicas (PMOs) under a flow of ammonia gas. PMOs integrate similar or even higher quantities…

Zeolite Catalysis and SynthesisMesoporous Materials and CatalysisLayered Double Hydroxides Synthesis and Applications

Effects of Composition and Annealing on the Electrical Properties of CoSb3

Arwyn L. E. Smalley、Seok Kim、David C. Johnson2003-08-23Chemistry of Materials

A series of CoSb 3 samples was synthesized at low temperature (∼150 °C) using modulated elemental reactants, with composition varying between Co-rich and Sb-rich, resulting in lattice parameters ranging from 9.023 to 9.090 Å. The samples were annealed in 100 °C increments from 200 to 600 °C, with lattice parameter, el…

Advanced Thermoelectric Materials and DevicesChalcogenide Semiconductor Thin FilmsAdvanced Semiconductor Detectors and Materials

Ferro- and Ferrimagnetic Chains of hin-Bridged Copper(II) and Manganese(II) and hnn-Bridged Manganese(II) Complexes (hin = 4,4,5,5-Tetramethylimidazolin-1-oxyl; hnn = 4,4,5,5-Tetramethylimidazolin-1-oxyl 3-Oxide)

Tomoaki Ise、Takayuki Ishida、Daisuke Hashizume 等 5 位作者2003-08-23Inorganic Chemistry

We have exploited potential utility of 4,4,5,5-tetramethylimidazolin-1-oxyl (hin) and 4,4,5,5-tetramethylimidazolin-1-oxyl 3-oxide (hnn) as mu-1,4 and mu-1,5 bridging ligands, respectively, carrying an unpaired electron in development of metal-radical hybrid magnets. X-ray diffraction measurements of [Cu(hfac)(2)hin]…

Metal complexes synthesis and propertiesMagnetism in coordination complexesElectron Spin Resonance Studies

The First Optically Active Polycarbazoles

Zhongbiao Zhang、Masao Motonaga、Michiya Fujiki 等 4 位作者2003-08-23Macromolecules

ADVERTISEMENT RETURN TO ISSUEPREVCommunication to the...Communication to the EditorNEXTThe First Optically Active PolycarbazolesZhong-Biao Zhang, Masao Motonaga, Michiya Fujiki, and Charles E. McKennaView Author Information Department of Chemistry, University of Southern California, Los Angeles, California 90089-0744;…

Molecular Sensors and Ion DetectionLuminescence and Fluorescent MaterialsPolydiacetylene-based materials and applications

Tyrosine-Bearing Polyphosphazenes

Harry R. Allcock、Anurima Singh、Archel M. A. Ambrosio 等 4 位作者2003-08-23Biomacromolecules

Tyrosine-functionalized polyphosphazenes were synthesized, and their hydrolytic stability, pH-sensitive behavior, and hydrogel-forming capabilities were investigated. The physical and chemical properties of the polymers varied with the type of linkage between the tyrosine unit and phosphazene backbone. Poly[(ethyl gly…

biodegradable polymer synthesis and propertiesFlame retardant materials and propertiesSynthesis and properties of polymers

IR-Induced Second Harmonic Generation in Sb2Te3−BaF2−PbCl2 Glasses

I.V. Kityk2003-08-23The Journal of Physical Chemistry B

Theoretically predicted and experimentally confirmed occurrence of infrared-induced second harmonic generation for glasses in the middle infrared spectral region is described by fifth-order nonlinear optical susceptibility. This effect is observed in the middle-IR region when the value of the electronic energy gap is…

Glass properties and applicationsPhase-change materials and chalcogenidesOptical properties and cooling technologies in crystalline materials

Preparation and Characterization of Silver Sulfide Nanocrystals Generated from Silver(I)-Thiolate Polymers

T. Gregory Schaaff、Adam J. Rodinone2003-08-23The Journal of Physical Chemistry B

Silver sulfide nanocrystals have been formed by the conversion of silver thiolate polymers with sodium sulfide in a dual-phase solution preparation. From transmission electron microscopy and laser desorption ionization mass spectrometry, the mean nanocrystalline diameter is estimated to be 5.4 nm. Large-angle X-ray di…

Gold and Silver Nanoparticles Synthesis and ApplicationsQuantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin Films

Coexistence of Long-Range Ferromagnetic Ordering and Glassy Behavior in One-Dimensional Bimetallic Cyano-Bridged Polymers

Dongfeng Li、Li‐Min Zheng、Yuan‐Zhu Zhang 等 6 位作者2003-08-23Inorganic Chemistry

Two new one-dimensional (1-D) 3d-5d cyano-bridged bimetallic assemblies, ([Co(3)(II)(DMF)(12)][W(V)(CN)(8)](2)])(infinity) (1) and ([Mn(3)(II)(bipy)(2)(DMF)(8)][W(V)(CN)(8)](2))(infinity) (2), have been synthesized and characterized, where bipy stands for 2,2'-bipyridine and DMF represents N,N-dimethylformamide. The X…

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

Synthesis of Bimodal Nanostructured Silicas with Independently Controlled Small and Large Mesopore Sizes

Jihong Sun、Zhiping Shan、Thomas Maschmeyer 等 4 位作者2003-08-23Langmuir

We report on the synthesis of bimodal, structured silicas by a fully chemical, templating−scaffolding route that enables independent control over small and large mesopore sizes. Mesoporous MCM-41 nanoparticles, synthesized in a first step, are cross-linked in a second step, leading to a bimodal porous material. Triblo…

Zeolite Catalysis and SynthesisMesoporous Materials and CatalysisPolyoxometalates: Synthesis and Applications

Rational Design and Fabrication of ZnO Nanotubes from Nanowire Templates in a Microwave Plasma System

Xianhua Zhang、Su‐Yuan Xie、Zhiyuan Jiang 等 8 位作者2003-08-23The Journal of Physical Chemistry B

A nanowire−nanocable−nanotube scheme was designed for fabricating tubular ZnO in a microwave plasma system. Depending on optimal reaction conditions, diameters (from submicrometer to nanometer) and wall thicknesses of the tubular ZnOs can be controlled in the process. Data from morphology analyses, X-ray diffraction,…

ZnO doping and propertiesGas Sensing Nanomaterials and SensorsCopper-based nanomaterials and applications