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Inner C-cyanide addition and nucleophilic addition to Ni(ii) N-confused porphyrinsElectronic supplementary information (ESI) available: UV-vis spectra of 1 with and without NaOCH3. See http://www.rsc.org/suppdata/cc/b2/b211990k/

Ziwei Xiao、Brian O. Patrick、David Dolphin2003-03-31Chemical Communications

Inner C-cyanide addition and subsequent addition of a methoxy group were observed in the reactions of Ni(II) N-confused tetra(p-tolyl)porphyrin with sodium methoxide and DDQ.

Porphyrin and Phthalocyanine ChemistryPhotodynamic Therapy Research StudiesMetal-Catalyzed Oxygenation Mechanisms

Evaluation of the low-lying energy spectrum of magnetic Keplerate molecules using the density-matrix renormalization group technique

Matthias Exler、Jürgen Schnack2003-03-31Physical review. B, Condensed matter

We apply the density-matrix renormalization-group (DMRG) technique to magnetic molecules in order to evaluate the low-lying energy spectrum. In particular, we investigate the giant Keplerate molecule ${{\mathrm{Mo}}_{72}{\mathrm{Fe}}_{30}}$ [A. M\"uller et al. Angew Chem. Int. Ed. Engl. $38,$ 3238 (1999)], where 30 ${…

Physics of Superconductivity and MagnetismMagnetism in coordination complexesAdvanced NMR Techniques and Applications

Monodisperse metal nanowire arrays on Si by integration of template synthesis with silicon technology

Jinsub Choi、G. Sauer、Petra Göring 等 6 位作者2003-03-31Journal of Materials Chemistry

Thin films of monodomain porous alumina with 2 µm thickness and adjustable monodisperse pore diameter are obtained via anodization of nanoimprinted Al evaporated on a Si wafer. By using these templates, hexagonally arranged monodisperse silver nanowires on Si are prepared by electrochemical deposition with a commercia…

Nanowire Synthesis and ApplicationsNanofabrication and Lithography TechniquesAnodic Oxide Films and Nanostructures

Electronic structure of single-walled carbon nanotubes encapsulating potassium

Satoru Suzuki、Fumihiko Maeda、Yoshio Watanabe 等 4 位作者2003-03-31Physical review. B, Condensed matter

Electronic structural change of single-walled carbon nanotubes induced by potassium encapsulation was studied by photoemission spectroscopy. The potassium encapsulation caused a shift of the overall valence-band spectrum toward the higher binding-energy side by about 0.5 eV, which is basically understood by the simple…

Carbon Nanotubes in CompositesGraphene research and applicationsIon-surface interactions and analysis

Relaxation, nucleation, and glass transition in supercooled liquid Cu

Hui Pang、Zhen Jin、Kun Lu2003-03-31Physical review. B, Condensed matter

Using molecular-dynamics simulation with the embedded atom method, the dynamical properties of supercooled liquid Cu were studied by characterizing several time-correlation functions. With increasing undercooling of the liquid Cu below the melting point, self-diffusion slows down along with an increase in the structur…

Liquid Crystal Research AdvancementsMaterial Dynamics and PropertiesMetallic Glasses and Amorphous Alloys

Magnetoelastic behaviour of Gd5Ge4

César Magén、L. Morellón、P. A. Algarabel 等 5 位作者2003-03-31Journal of Physics Condensed Matter

A complete investigation of the complex magnetic behaviour of Gd 5 Ge 4 by means of linear thermal expansion and magnetostriction measurements (5–300 K, 0–120 kOe) has been carried out. Our results support the suggested existence in this system of a coupled crystallographic–magnetic transition from a Gd 5 Ge 4 -type P…

Magnetic and transport properties of perovskites and related materialsRare-earth and actinide compoundsMagnetic Properties of Alloys

Brochantite, Cu4SO4(OH)6: OD character, polytypism and crystal structures

Stefanο Merlino、Natale Perchiazzi、David Franco2003-03-31European Journal of Mineralogy

Single-crystal X-ray diffraction studies of brochantite demonstrate its Order-Disorder (OD) character. The OD structures of the brochantite family can be described as built up by equivalent OD layers with symmetry Pn2(1)m. Two MDO polytypes are possible in this family, and both have been identified in specimens of bro…

Crystal Structures and PropertiesMetal Extraction and BioleachingAdvanced Condensed Matter Physics

The local structure of mixed-ion perovskites

V. A. Shuvaeva、I. V. Pirog、Yusuke Azuma 等 9 位作者2003-03-31Journal of Physics Condensed Matter

The temperature-dependent Nb K-edge absorption spectra of several mixed-ion Pb-containing perovskite compounds were analysed to determine the Nb displacement and to trace its changes through the phase transitions. Both extended x-ray absorption fine structure (EXAFS) and the pre-edge region of the spectra were involve…

Ferroelectric and Piezoelectric MaterialsMagnetic and transport properties of perovskites and related materialsThermal Expansion and Ionic Conductivity

Organic modification of the interlayer surface of kaolinite with propanediols by transesterificationElectronic supplementary information (ESI) available: Fig. S1: XRD patterns of (A) methoxy-modified kaolinite, (B) Kao–1,3PDint, (C) Kao–1,3PDint washed by ethanol, (D) Kao–1,3PDgraft and (E) Kao–1,3PDgraft washed by ethanol. See http://www.rsc.org/suppdata/jm/b2/b211844k/

Tetsuro Itagaki、Kazuyuki Kuroda2003-03-31Journal of Materials Chemistry

Propanediols (1,2- and 1,3-propanediols) were reacted with methoxy-modified kaolinite to form hydroxypropoxy-modified kaolinites by transesterification. Grafting occurred on the AlOH groups of the interlayer surface, which provides unique asymmetrical interlayer environments surrounded by both hydroxy groups of the di…

Clay minerals and soil interactionsIron oxide chemistry and applicationsChemical Synthesis and Characterization

Analytic calculation of the optical properties of graphite

Thomas Garm Pedersen2003-03-31Physical review. B, Condensed matter

We present an analytic calculation of the dielectric constant of graphite valid in the spectral range dominated by \ensuremath{\pi}-electron transitions. An orthogonal, nearest-neighbor tight-binding description of electron bands is applied and interaction between different graphite layers is ignored. In addition to t…

Advanced Chemical Physics StudiesGraphene research and applicationsSurface and Thin Film Phenomena

GHz Range Absorption Properties of α-Fe/Y2O3 Nanocomposites Prepared by Melt-spun Technique

Jiu Rong Liu、Masahiro Itoh、Ken‐ichi Machida2003-03-31Chemistry Letters

Abstract Nanocomposite materials of α-Fe/Y2O3 prepared by melt-spun technique exhibited good electromagnetic wave absorption properties (RL<−20 dB) in a 2.0-3.5 GHz range as absorbers with thickness ranging from 3 to 5 mm, and a minimum reflection loss of −36 dB was obtained at 2.6 GHz with an absorber thicknes…

Metallic Glasses and Amorphous AlloysMagnetic Properties and Synthesis of FerritesElectromagnetic wave absorption materials

Polymer crystalline structure and morphology changes in nylon‐6/ZnO nanocomposites

Junrong Zheng、Richard W. Siegel、C. Gregory Toney2003-03-31Journal of Polymer Science Part B Polymer Physics

Abstract The influence of ZnO nanoparticles on the crystalline structures of nylon‐6 under different crystallization conditions (annealing at different temperatures from the amorphous solid, isothermal crystallization from the melt at different temperatures, and crystallization from the solution) has been examined wit…

Polymer crystallization and propertiesPolymer Nanocomposites and Propertiesbiodegradable polymer synthesis and properties

Preparation of CuAlO2nanocrystalline transparent thin films with high conductivity

Shanmin Gao、Yan Zhao、Pingping Gou 等 5 位作者2003-03-31Nanotechnology

P-type transparent CuAlO 2 semiconductor films are made by the spin-on technique from nanocrystals. The nanocrystals are synthesized by a hydrothermal metathesis reaction. Scanning electron microscopy, x-ray diffraction and energy dispersive x-ray spectrometry suggest that the films contain nanocrystalline phases of C…

ZnO doping and propertiesCopper-based nanomaterials and applicationsElectronic and Structural Properties of Oxides

Elastic properties of dense solid phases of hard cyclic pentamers and heptamers in two dimensions

Krzysztof W. Wojciechowski、Konstantin V. Tretiakov、Mikołaj Kowalik2003-03-31Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics

Systems of model planar, nonconvex, hard-body "molecules" of fivefold and sevenfold symmetry axes are studied by constant pressure Monte Carlo simulations with variable shape of the periodic box. The molecules, referred to as pentamers (heptamers), are composed of five (seven) identical hard disks "atoms" with centers…

Polymer crystallization and propertiesMaterial Dynamics and PropertiesCellular and Composite Structures

Trapping of oxygen vacancies on twin walls of CaTiO3: a computer simulation study

M. Calleja、Martin T. Dove、Ekhard K. H. Salje2003-03-31Journal of Physics Condensed Matter

We have studied the atomic structure of [001]90° rotation twin walls in orthorhombic CaTiO 3 (symmetry Pbnm ) at low temperature (10 K) and their effects on oxygen vacancies. The wall thickness was found to be 2.3 nm at T ≪ T c and it was found that it is energetically favourable for such vacancies to reside in the wa…

Ferroelectric and Piezoelectric MaterialsMagnetic and transport properties of perovskites and related materialsElectronic and Structural Properties of Oxides

Ferromagnetism in laser deposited anataseTi1−xCoxO2−δfilms

S. R. Shinde、Satishchandra Ogale、S. Das Sarma 等 14 位作者2003-03-31Physical review. B, Condensed matter

Pulsed laser deposited films of Co-doped anatase ${\mathrm{TiO}}_{2}$ are examined for Co substitutionality, ferromagnetism, transport, magnetotransport, and optical properties. Our results show limited solubility (up to \ensuremath{\sim}2%) of Co in the as-grown films and formation of Co clusters thereafter. For the…

ZnO doping and propertiesMagnetic and transport properties of perovskites and related materialsElectronic and Structural Properties of Oxides

Spectra and structure of silicon‐containing compounds. XXXVI—Raman and infrared spectra, conformational stability, ab initio calculations and vibrational assignment of ethyldibromosilane

Gamil A. Guirgis、P. Klaboe、Shiyu Shen 等 10 位作者2003-03-31Journal of Raman Spectroscopy

Abstract The Raman spectrum of liquid ethyldibromosilane, CH 3 CH 2 SiHBr 2 , was recorded at various temperatures between 298 and 218 K, and the spectrum of the crystal was obtained at 210 K from a sample sealed in a capillary. Additional spectra of the amorphous and annealed crystals, which were deposited on a coppe…

Nonlinear Optical Materials ResearchSolid-state spectroscopy and crystallographyMolecular spectroscopy and chirality

Morphology and crystalline phase study of electrospun TiO2 SiO2nanofibres

Bin Ding、Hak Yong Kim、Chulki Kim 等 5 位作者2003-03-31Nanotechnology

Nanofibres of TiO 2 –SiO 2 (Ti:Si = 50: 50 mol%) with diameters of 50–400 nm were prepared by calcining electrospun nanofibres of polyvinyl acetate (PVac)/titania–silica composite as precursor. These PVac/titania–silica hybrid nanofibres were obtained from a homogenous solution of PVac with a sol–gel of titanium isopr…

Conducting polymers and applicationsElectrospun Nanofibers in Biomedical ApplicationsElectrohydrodynamics and Fluid Dynamics

Local structure in nematic and isotropic liquid crystals

Nguyen H. Phuong、Friederike Schmid2003-03-31arXiv

By computer simulations of systems of ellipsoids, we study the influence of the isotropic/nematic phase transition on the direct correlation functions (DCF) in anisotropic fluids. The DCF is determined from the pair distribution function by solving the full Ornstein-Zernike equation, without any approximations. Using…

Materials ScienceSoft Condensed Mattercond-mat.stat-mech

Two band/two gap superconductivity in carbon-substituted MgB2 evidenced by point-contact spectroscopy

P. Samuely、Z. Holanova、P. Szabo 等 7 位作者2003-03-31arXiv

The Andreev reflection measurements of the superconducting energy gap in the carbon-substituted MgB$_2$ are presented. Despite the strong suppression of the transition temperature by 17 K in comparison with the pure MgB$_2$, the same reduced value of the small superconducting energy gap with $2Δ/kT_c \approx$ 1.7 has…

Materials ScienceSuperconductivity