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Line profile analysis: pattern modellingversusprofile fitting

Paolo Scardi、Matteo Leoni2006-01-12Journal of Applied Crystallography

Powder diffraction data collected on a nanocrystalline ceria sample within a round robin conducted by the IUCr Commission on Powder Diffraction were analysed by two alternative approaches: (i) whole-powder-pattern modelling based upon a fundamental microstructural parameters approach, and (ii) a traditional whole-powd…

Nuclear materials and radiation effectsX-ray Diffraction in CrystallographyAdvanced ceramic materials synthesis

Ligand Transfer Reactions of Mixed-Metal Lanthanide/Magnesium Allyl Complexes with β-Diketimines: Synthesis, Structures, and Ring-Opening Polymerization Catalysis

Luis F. Sánchez‐Barba、David L. Hughes、Simon M. Humphrey 等 4 位作者2006-01-12Organometallics

The reaction of the mixed-metal lanthanide/magnesium allyl complexes [Ln( η 3 -C 3 H 5 ) 3 ( μ -C 4 H 8 O 2 )·Mg( η 1 -C 3 H 5 ) 2 ( μ -C 4 H 8 O 2 ) 1.5 ] n (Ln = La, 1; Y, 2 ) with the diketimine 2-(2,6-diisopropylphenyl)amino-4-(2,6-diisopropylphenyl)imino-2-pentene (BDI-H) in THF at 60 °C leads to the isolation of…

Organometallic Complex Synthesis and Catalysisbiodegradable polymer synthesis and propertiesCarbon dioxide utilization in catalysis

Tuning the ferromagnetic properties of hydrogenated GaMnAs

Laura Thevenard、Ludovic Largeau、Olivia Mauguin 等 5 位作者2006-01-12arXiv

Hydrogenation and posthydrogenation annealings have been used as a very efficient tool to tune the hole density over a wide range, at fixed magnetic moment concentration, in thin GaMnAs layers. Reduction of the hole density resulted in strong modifications of their ferromagnetic properties. In particular, we observed…

Materials Science

Automated diffraction image analysis and spot searching for high-throughput crystal screening

Zepu Zhang、Nicholas K. Sauter、Henry van den Bedem 等 5 位作者2006-01-12Journal of Applied Crystallography

A new software package, DISTL ( Diffraction Image Screening Tool and Library ), for the rapid analysis of X-ray diffraction patterns collected from macromolecular crystals is presented. Within seconds, the program characterizes the strength and quality of the Bragg spots, determines the limiting resolution of the imag…

Metabolomics and Mass Spectrometry StudiesEnzyme Structure and FunctionProtein Structure and Dynamics

On the absolute calibration of bench-top small-angle X-ray scattering instruments: a comparison of different standard methods

Cécile A. Dreiss、Kevin S. Jack、Andrew P. Parker2006-01-12Journal of Applied Crystallography

Absolute calibration relates the measured (arbitrary) intensity to the differential scattering cross section of the sample, which contains all of the quantitative information specific to the material. The importance of absolute calibration in small-angle scattering experiments has long been recognized. This work detai…

X-ray Diffraction in CrystallographyNuclear Physics and ApplicationsX-ray Spectroscopy and Fluorescence Analysis

Anomalous in-plane magneto-optical anisotropy of self-assembled quantum dots

T. Kiessling、A. V. Platonov、G. V. Astakhov 等 9 位作者2006-01-12arXiv

We report on a complex nontrivial behavior of the optical anisotropy of quantum dots that is induced by a magnetic field in the plane of the sample. We find that the optical axis either rotates in the opposite direction to that of the magnetic field or remains fixed to a given crystalline direction. A theoretical anal…

Materials Science

Comment on On the Yield of Singlet Excitons in Organic Light-Emitting Devices: a Double Modulation Photoluminescence-Detected Magnetic Resonance Study

C. G. Yang、E. Eherenfreund、Z. V. Vardeny2006-01-12arXiv

In a recent Letter Lee et al. studied the spin 1/2 photoluminescence-detected magnetic resonance (PLDMR) of a soluble derivative of poly-phenylene vinylene [MEH-PPV] and argued that it originates from the interaction of triplet excitons with polarons. We show that in MEH-PPV as well as in other conjugated polymers the…

Materials Sciencecond-mat.other

Two-Dimensional Electron Gas in InGaAs/InAlAs Quantum Wells

E. Diez、Y. P. Chen、S. Avesque 等 9 位作者2006-01-12arXiv

We designed and performed low temperature DC transport characterization studies on two-dimensional electron gases confined in lattice-matched In$_{0.53}$Ga$_{0.47}$As/In$_{0.52}$Al$_{0.48}$As quantum wells grown by molecular beam epitaxy on InP substrates. The nearly constant mobility for samples with the setback dist…

Mesoscale and Nanoscale PhysicsMaterials Science

Detection of spin voltaic effect in a p-n heterojunction

T. Kondo、J. Hayafuji、H. Munekata2006-01-12arXiv

Model calculation and experimental data of circularly-polarized-light-dependent photocurrent in a n-AlGaAs/p-InGaAs/p-GaAs heterostructure are reported. It is found that, under the appropriate forward bias condition, spin voltaic effect (SVE) can survive across the heterojunction and give rise to detectable polarizati…

cond-mat.otherMaterials Science

First Synthesis of Free Cholesterol−BODIPY Conjugates

Zaiguo Li、Evan Mintzer、Robert Bittman2006-01-12The Journal of Organic Chemistry

Analogues of cholesterol (compounds 1 and 2) and coprostanol (compound 3) containing the BODIPY fluorophore in the aliphatic tail of the free sterol have been synthesized starting with bisnorcholenic acid, cholenic acid 3beta-acetate, and lithocholic acid, respectively. An ester linkage joining the fluorophore to the…

Porphyrin and Phthalocyanine ChemistryPhotochromic and Fluorescence ChemistryLuminescence and Fluorescent Materials

Space-Charge-Limited Current Fluctuations in Organic Semiconductors

A. Carbone、B. K. Kotowska、D. Kotowski2006-01-12arXiv

Low-frequency current fluctuations are investigated over a bias range covering {\em ohmic}, {\em trap-filling} and {\em space-charge-limited current} regimes in polycrystalline polyacenes. The relative current noise power spectral density ${\cal S}(f)$ is constant in the {\em ohmic} region, steeply increases at the {\…

cond-mat.dis-nnMaterials Science

Correlation effects for semiconducting single wall carbon nanotube: a density matrix renormalization group study

Fei Ye、Bing-Shen Wang、JiZhong Lou 等 4 位作者2006-01-12arXiv

In this paper, we report the applicability of the density matrix renormalization group(DMRG) approach to the cylindrical single wall carbon nanotube (SWCN) for purpose of its correlation effect. By applying the DMRG approach to the $t$+$U$+$V$ model, with $t$ and $V$ being the hopping and Coulomb energies between the…

Materials ScienceStrongly Correlated Electrons

Two calorimetric glass transitions do not necessarily indicate immiscibility: The case of PEO/PMMA

Timothy P. Lodge、Elizabeth R. Wood、Jeffrey C. Haley2006-01-12Journal of Polymer Science Part B Polymer Physics

Abstract Differential scanning calorimetry has been used to examine blends of a poly(ethylene oxide) (PEO), M n = 300 g/mol, and a poly(methylmethacrylate) (PMMA), M n = 10,000 g/mol, across the complete composition range. The relatively low molar mass of the PEO minimizes interference from crystallization. In the mid…

Material Dynamics and PropertiesPolymer crystallization and propertiesChemical Thermodynamics and Molecular Structure

Giant magnetic moment in an anomalous ferromagnetic insulator: Co-dopedZnO

Cheng Song、K. W. Geng、Fei Zeng 等 10 位作者2006-01-12Physical Review B

Ferromagnetic insulators that exhibit strong ferromagnetism at the atomic level are believed to be suitable for magnetic dielectric barriers in spintronic devices and solid-state qubits in quantum computing. Here a giant magnetic moment of $6.1{\ensuremath{\mu}}_{B}∕\mathrm{Co}$ and a high Curie temperature ${T}_{C}$…

ZnO doping and propertiesAdvanced Condensed Matter PhysicsMultiferroics and related materials

Photocatalytic Activity of R3MO7 and R2Ti2O7 (R = Y, Gd, La; M = Nb, Ta) for Water Splitting into H2 and O2

Ryu Abe、Masanobu Higashi、Kazuhiro Sayama 等 5 位作者2006-01-12OpenAlex

The photocatalytic activities of R3MO7 and R2Ti2O7 (R=Y, Gd, La; M=Nb, Ta) strongly depended on the crystal structure. Overall, photocatalytic water splitting into H2 and O2 proceeded over La3TaO7 and La3NbO7, which have an orthorhombic weberite structure, Y2Ti2O7 and Gd2Ti2O7, which have a cubic pyrochlore structure,…

Advanced Photocatalysis TechniquesNuclear materials and radiation effectsLayered Double Hydroxides Synthesis and Applications

Grain Boundary Strengthening in Alumina by Rare Earth Impurities

J. P. Buban、Katsuyuki Matsunaga、Jianguo Chen 等 7 位作者2006-01-12OpenAlex

Impurity doping often alters or improves the properties of materials. In alumina, grain boundaries play a key role in deformation mechanisms, particularly in the phenomenon of grain boundary sliding during creep at high temperatures. We elucidated the atomic-scale structure in alumina grain boundaries and its relation…

Ion-surface interactions and analysisSemiconductor materials and interfacesMicrostructure and mechanical properties

TLSMDweb server for the generation of multi-group TLS models

Jay Painter、E.A. Merritt2006-01-12OpenAlex

The TLSMD web server extracts information about dynamic properties of a protein based on information derived from a single-crystal structure. It does so by analyzing the spatial distribution of individual atomic thermal parameters present in an input structural model. The server partitions the protein structure into m…

Enzyme Structure and FunctionProtein Structure and DynamicsBiochemical and Molecular Research

Liquid‐like structure of polymer solutions near the overlap concentration

Rick Stanley Francis、G. D. Patterson、S. H. Kim2006-01-11Journal of Polymer Science Part B Polymer Physics

Abstract The light scattering structure factor S ( q , c ) has been measured for a series of concentrations near the overlap value c * for solutions of high molecular weight poly(α‐methyl styrene) in the good solvent toluene. Scattering functions near and above overlap are characterized by a maximum as a function of s…

Phase Equilibria and ThermodynamicsMaterial Dynamics and PropertiesThermodynamic properties of mixtures

Preparation of organic–inorganic nanocomposites with core‐shell structure by inorganic powders

Nader Naderi、Naser Sharifi‐Sanjani、Baharak Khayyat‐Naderi 等 4 位作者2006-01-11Journal of Applied Polymer Science

Abstract Organic–inorganic nanocomposites with core‐shell structure were prepared in two steps. In the first step, the latex particles in the semibatch emulsion polymerization of butyl methacrylate (BMA), in the presence of methacrylic acid (MAA), were prepared. Small amounts of acrylic acid incorporated into the late…

Advanced Polymer Synthesis and CharacterizationPolymer Surface Interaction Studiesbiodegradable polymer synthesis and properties

Conductivity and band gap of oligo-2-[(4-chlorophenyl) imino methylene] phenol and its oligomer–metal complexes

İsmet Kaya、Sermet Koyuncu2006-01-11Materials Letters

Schiff base oligomer of 2-[(4-chlorophenyl) imino methylene] phenol (CPIMP) was synthesized via oxidative polycondensation reaction in an alkaline medium. Oligomer–metal complex compounds were synthesized from the reactions of oligo-2-[(4-chlorophenyl) imino methylene] phenol (OCPIMP) with Co + 2 , Ni + 2 and Cu + 2 i…

Organic Electronics and PhotovoltaicsConducting polymers and applicationsSynthesis and properties of polymers