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First-principles study of the structural, electronic, and optical properties ofGa2O3in its monoclinic and hexagonal phases

Haiying He、Roberto Orlando、M. A. Blanco 等 7 位作者2006-11-27OpenAlex

We report the results of a comprehensive study on the structural, electronic, and optical properties of ${\mathrm{Ga}}_{2}{\mathrm{O}}_{3}$ in its ambient, monoclinic $(\ensuremath{\beta})$ and high-pressure, hexagonal $(\ensuremath{\alpha})$ phases in the framework of all-electron density functional theory. In both p…

Advanced Photocatalysis TechniquesZnO doping and propertiesGa2O3 and related materials

Field dependence of the magnetocaloric effect in materials with a second order phase transition: A master curve for the magnetic entropy change

V. Franco、J.S. Blázquez、A. Conde2006-11-27OpenAlex

The field dependence of the magnetic entropy change can be expressed as ΔSM∝Hn. For soft magnetic amorphous alloys n=1 well below the Curie temperature (TC), n=2 in the paramagnetic range, and n≈0.75 for T=TC. The first value can be explained with simple arguments, n=2 is a consequence of the Curie-Weiss law, but n(TC…

Magnetic and transport properties of perovskites and related materialsShape Memory Alloy TransformationsSolid-state spectroscopy and crystallography

Electron transport through dipyrimidinyl-diphenyl diblock molecular wire: protonation effect

Zhenyu Li2006-11-26arXiv

Recently, rectifying direction inversion has been observed in dipyrimidinyl-diphenyl (PMPH) diblock molecular wire [J. Am. Chem. Soc. (2005) 127, 10456], and a protonation mechanism was suggested to explain this interesting phenomena. In this paper, we study the protonation effect on transport properties of PMPH molec…

Mesoscale and Nanoscale PhysicsMaterials Science

Spin dynamics in semiconductor nanostructures

M. W. Wu、M. Q. Weng、J. L. Cheng2006-11-26arXiv

We review our theoretical investigation on the spin relaxation/dephasing in spin precession and spin diffusion/transport in semiconductor nanostructures based on the kinetic spin Bloch equation approach.

Materials Science

Strong magnetic scattering from TiO$_{x}$ adhesion layers

A. Trionfi、S. Lee、D. Natelson2006-11-26arXiv

Electronic phase coherence in normal metals is incredibly sensitive to magnetic scattering. As a result, the weak localization magnetoresistance and time-dependent universal conductance fluctuations are powerful probes of magnetic impurities. We report measurements of these effects in Au and Ag nanowires with a 1.5 nm…

Mesoscale and Nanoscale PhysicsMaterials Science

Synthetic Pathways Towards Phosphorus Dendrimers and Dendritic Architectures

Anne‐Marie Caminade、Cédric‐Olivier Turrin、Régis Laurent 等 5 位作者2006-11-25Current Organic Chemistry

The methods of synthesis of dendrimers and dendritic macromolecules possessing phosphorus derivatives at each branching points are reviewed. Classical methods using the repetition of two steps are first described, then various ways usable to shorten the time needed for the synthesis are emphasized. These improvements…

Advanced Polymer Synthesis and CharacterizationDendrimers and Hyperbranched PolymersFerrocene Chemistry and Applications

Fine structure of exciton excited levels in a quantum dot with a magnetic ion

M. M. Glazov、E. L. Ivchenko、L. Besombes 等 6 位作者2006-11-25arXiv

The fine structure of excited excitonic states in a quantum dot with an embedded magnetic ion is studied theoretically and experimentally. The developed theory takes into account the Coulomb interaction between charged carriers, the anisotropic long-range electron-hole exchange interaction in the zero-dimensional exci…

Mesoscale and Nanoscale PhysicsMaterials Sciencecond-mat.other

Grafting of cyclopentadienyl ruthenium complexes on aminosilane linker modified mesoporous SBA-15 silicates

Ayyamperumal Sakthivel、Filipe M. Pedro、Anthony S.T. Chiang 等 4 位作者2006-11-24Dalton Transactions

Cyclopentadienyl ruthenium phosphane and carbene complexes are grafted on the surface of mesoporous SBA-15 molecular sieves through an aminosilane linker. The nature of the support after the grafting is examined by powder XRD, TEM and N(2) adsorption/desorption analysis. Elemental analysis, FT-IR, DRIFTS, TG-MS and MA…

Mesoporous Materials and CatalysisAsymmetric Hydrogenation and CatalysisSynthetic Organic Chemistry Methods

The interface in demixed colloid–polymer systems: wetting, waves and droplets

Dirk G. A. L. Aarts2006-11-24Soft Matter

Phase transitions in colloid-polymer mixtures have attracted a large amount of attention over the last 20 years (W. C. K. Poon, , 2002, , R859; R. Tuinier, J. Rieger and C. G. de Kruif, , 2003, , 1). By comparison, the interfacial tension between the coexisting phases has received little attention. Here, we show that…

Phase Equilibria and ThermodynamicsMaterial Dynamics and PropertiesPickering emulsions and particle stabilization

Naphthalene-containing polyamines supported in nanosized boehmite particles

Ricardo Aucejo、Pilar Dı́az、Enrique García‐España 等 8 位作者2006-11-24New Journal of Chemistry

Boehmite nanoparticles with covalently linked polyamine chains functionalized with naphthalene fluorophores have been prepared and characterized. The characterization of the materials by elemental microanalysis, X-ray powder diffraction, MAS 29Si NMR and electron microscopy unambiguously prove that the covalent anchor…

Molecular Sensors and Ion DetectionSupramolecular Chemistry and ComplexesLuminescence and Fluorescent Materials

Structural–magnetic correlations on the first dinuclear spin crossover d 4 system

A.E. Goeta、Judith A. K. Howard、A.K. Hughes 等 5 位作者2006-11-24Journal of Materials Chemistry

The triple decker dinuclear Cr(II) salt [(η5-C5Me5)Cr(μ2:η5-P5)Cr(η5-C5Me5)]+ (SbF6)− has been structurally characterised by multiple temperature X-ray diffraction experiments from 290 K to 12 K. This material shows changes in its structural features which correlate with its magnetic response, including a structural t…

Magnetism in coordination complexesLanthanide and Transition Metal ComplexesOrganic and Molecular Conductors Research

Fluorescent bead arrays by means of layer-by-layer polyelectrolyte adsorption

Andreas Schnäckel、Sabine Hiller、Uta Reibetanz 等 4 位作者2006-11-24Soft Matter

Colloids with graduated fluorescence intensities were fabricated by means of layer-wise adsorption of fluorescein isothiocyanate-labelled poly(allyl amine hydrochloride) (FITC-PAH) together with poly(styrene sulfonate) (PSS) on silica particles. The graduated fluorescence was adjusted by variation of the fluorescent l…

Hydrogels: synthesis, properties, applicationsPolymer Surface Interaction StudiesAnalytical Chemistry and Sensors

A trinucleating ligand based on 1,8-naphthalenediol: synthesis, structural and magnetic properties of a linear Cu II Cu II Cu II complex

Thorsten Glaser、Ioannis Liratzis、Roland Fröhlich 等 4 位作者2006-11-24Chemical Communications

The extension of Robson-type ligands from dinucleating based on 2,6-diformylphenol to trinucleating based on 2,7-diformyl-1,8-naphthalenediol is demonstrated by the synthesis, structural and magnetic characterization of the first trinuclear Cu(II) complex using a 1,8-naphthalenediol derived ligand.

Metal complexes synthesis and propertiesMagnetism in coordination complexesMetal-Catalyzed Oxygenation Mechanisms

Crown ether functionalised dendrons—controlled binding and release of dopamine in both solution and gel-phases

Sonia V. Brignell、David K. Smith2006-11-24New Journal of Chemistry

This paper reports the use of first (G1), second (G2) and third (G3) generation dendritic branches based on L-lysine building blocks with an [18]crown-6 unit at the focal point to bind protonated dopamine. The binding strength in CD3OD is dependent on dendritic generation (G1 > G2 < G3). As expected, the presence of w…

Luminescence and Fluorescent MaterialsSupramolecular Self-Assembly in MaterialsDendrimers and Hyperbranched Polymers

Oriented Au–Cu nanoalloy particle incorporated SiO 2 films using a new layer by layer deposition technique

Sudipto Pal、Goutam De2006-11-24Journal of Materials Chemistry

Oriented Au–Cu nanoalloys have been generated in SiO2 films using a new two-layer (TL) coating approach. Two successive overlapping coating layers were deposited on silica glass substrate using Au- and Cu-incorporated inorganic–organic hybrid silica sols. The concentrations of the Au and Cu (3 equivalent mol% metal–97…

Gold and Silver Nanoparticles Synthesis and ApplicationsQuantum Dots Synthesis And PropertiesNonlinear Optical Materials Studies

Monomeric and polymeric copper and zinc tripyrrins

Martin Bröring、S. Prikhodovski、Carsten D. Brandt 等 5 位作者2006-11-24Dalton Transactions

Neutral transition metal complexes of different alpha,omega-dimethyltripyrrins TrpyMX with M = Cu(II) and Zn(II) have been prepared with a variety of anionic halogeno and pseudohalogeno ligands X, and have been studied with respect to coordination modes and structural distortion. Only four- and five-coordinate species…

Molecular Sensors and Ion DetectionPorphyrin and Phthalocyanine ChemistryLuminescence and Fluorescent Materials

Study of Selective Layer for HCN Sensing

Isao Sasaki、Mira Josowicz、Jiřı́ Janata2006-11-24Electroanalysis

Abstract Characterization and performance of electrochemically treated cast PANI‐HgCl 2 films for detection of HCN in the range 1–20 ppm were studied. The HCN detection comprises analytical signals that are generated from the work function change and the resistance change of the sensing layer. The sensing platform acc…

Conducting polymers and applicationsElectrochemical Analysis and ApplicationsAnalytical Chemistry and Sensors

Engineering of mesostructured silicas by pseudomorphism

François Fajula2006-11-24Dalton Transactions

Pseudomorphic transformation is introduced as an effective and versatile method to independently optimize the morphology of the grains and the structural properties of mesostructured silicas. In this account a short overview is given of the preparation of MCM-41 and MCM-48 mesophases as non-aggregated and homogeneousl…

Zeolite Catalysis and SynthesisMesoporous Materials and CatalysisAerogels and thermal insulation

A spin-frustrated star-shaped heterotetranuclear Cr III Mn II 3 species and its magnetic and HF-EPR measurements

Sumit Khanra、Biplab Biswas、C. Golze 等 7 位作者2006-11-24Dalton Transactions

A tetranuclear complex [Cr(III)Mn(II)(3)(PyA)(6)Cl(3)] 1 containing pyridine-2-aldoximato monoanion, PyA, has been structurally and magnetochemically characterized. The compound is a rare example of a tetranuclear star-shaped metal topology containing pyridine-2-aldoximato ligands. Static magnetic studies have demonst…

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

Al, Ga and In heterometallic wheels and their by-products

E. Carolina Sañudo、C.A. Muryn、Madeleine A. Helliwell 等 6 位作者2006-11-24Chemical Communications

Cyclic octanuclear complexes, each containing seven group 13 metals and one d-block metal are reported and preliminary physical characterisation of the compounds discussed.

Organometallic Complex Synthesis and CatalysisMetal complexes synthesis and propertiesMagnetism in coordination complexes