Materials Literature
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Single crystals of iron(IV) rich oxides $\mathrm{Sr}\mathrm{Fe}{\mathrm{O}}_{3\ensuremath{-}\ensuremath{\delta}}$ with controlled oxygen content $(0\ensuremath{\leqslant}\ensuremath{\delta}\ensuremath{\leqslant}0.31)$ have been studied by M\"ossbauer spectroscopy, magnetometry, magnetotransport measurements, Raman spe…
A facile method of preparing stable blue-emitting silicon nanoparticles that are dispersible in common organic solvents is presented. Oxidation of yellow-emitting silicon nanoparticles with an organic monolayer grafted to their surface, using either UV irradiation in solution or heating in air, converted them to blue-…
A three-dimensional magnetic material [{CoII(pyrimidine)(H2O)}2{CoII(H2O)2}{WV(CN)8}2](pyrimidine)2. 2H2O is prepared. This compound exhibits a charge-transfer-induced spin transition with a large thermal hysteresis loop of 90 K. Irradiating with light causes the low-temperature phase to exhibit a spontaneous magnetiz…
Molecular dynamics simulations of pure silica, sodium silicate, and soda-lime silicate glasses have been carried out using a developed potential that includes polarization effects through the shell model (SM). The potential has been validated using available experimental and ab initio structural data, such as density,…
We report first-principles calculations of the effects of quasiparticle self-energy and electron-hole interaction on the optical properties of single-walled boron nitride nanotubes. Excitonic effects are shown to be even more important in BN nanotubes than in carbon nanotubes. Electron-hole interactions give rise to c…
We have used electron paramagnetic resonance to study the thermal annealing of colour centres induced in cubic yttria-stabilized zirconia by swift electron and heavy ion irradiations. Single crystals were irradiated with 1 or 2 MeV electrons, and 200 MeV 127 I or 200 MeV 197 Au ions. Electron and ion beams produce the…
We investigate the equilibrium geometry and electronic structure of Mo12S9I9 nanowires using ab initio density functional calculations. The skeleton of these unusually stable nanowires consists of rigid, functionalized Mo octahedra, connected by flexible, bistable sulfur bridges. This structural flexibility translates…
We show that the optical absorption spectra of boron nitride (BN) nanotubes are dominated by strongly bound excitons. Our first-principles calculations indicate that the binding energy for the first and dominant excitonic peak depends sensitively on the dimensionality of the system, varying from 0.7 eV in bulk hexagon…
Holey zeolites! Hierarchical mesoporous zeolites (see SEM image) were prepared by a one-step hydrothermal reaction using both a small organic ammonium salt and a mesoscale cationic polymer as templates. The zeolites thus obtained reveal excellent catalytic properties relative to conventional zeolites, indicating the i…
Löchrige Zeolithe! Hierarchische mesoporöse Zeolithe (siehe SEM-Bild) wurden in einer einstufigen Hydrothermalreaktion unter Verwendung eines kleinen organischen Ammoniumsalzes und eines mesoskaligen kationischen Polymers als Template synthetisiert. Die erhaltenen Zeolithe sind sehr viel bessere Katalysatoren als gäng…
A general method based on two-phase polymerization has been described to synthesize mesoporous carbons via self-assembly. Mild reacting conditions and wide composition ranges are the obvious advantages of this method over the techniques previously reported.
Abstract The micromechanical properties of injection‐molded starch–wood particle composites were investigated as a function of particle content and humidity conditions. The composite materials were characterized by scanning electron microscopy and X‐ray diffraction methods. The microhardness of the composites was show…
When Pb(Mg 1/3 Nb 2/3 )O 3 (PMN) with 40 wt% excess PbO is sintered at 1050°C, the grains grow normally and have flat {100} surface segments with round edges. As PbTiO 3 (PT) is added up to 8 mol%, the grain growth is still nearly normal, characterized by time invariant normalized size distributions, but the grain edg…
Abstract In this work, X‐ray photoelectron spectroscopy (XPS) analyses were performed in order to identify the surface composition of oxide films electrochemically grown on Ti–50Zr and to verify whether anions from the electrolytes (H 3 PO 4 , H 2 SO 4 , and CH 3 SO 3 H) were incorporated into these oxide films. For a…
Abstract Thin sol–gel V 2 O 5 films were examined before and after lithium electrochemical intercalation/de‐intercalation cycles. X‐ray photoelectron spectroscopy (XPS) was used for surface characterisation, while microstructure and morphological characteristics were studied by atomic force and electron microscopies (…
Abstract Lamellar double hydroxides with different proportions of Ni, Cu, Mg and Al were prepared and calcined at 723 K to obtain mixed oxides with acid–base and redox properties. The acidic and basic sites of the surface of these catalysts were characterized by adsorption microcalorimetry, XPS coupled with adsorption…
Abstract The molecular characteristics of the room‐temperature soluble fractions (RT solubles) of three low‐density polyethylene film resins were characterized by size‐exclusion chromatography (SEC), SEC combined with FTIR (SEC–FTIR), and nuclear magnetic resonance spectroscopy (NMR). The high‐molecular‐weight compone…
The NMR and EPR spectra of two bisimidazole and three bispyridine complexes of tetraphenylchlorinatoiron(III), [(TPC)Fe(L)2]+ (L = Im-d4, 2-MeHIm, 4-Me2NPy, Py, and 4-CNPy), have been investigated. The full resonance assignments of the [(TPC)Fe(L)2]+ complexes of this study have been made from correlation spectroscopy…
Abstract Steady‐state and oscillatory shear behavior of three neat syndiotactic polypropylene (s‐PP) resins and a s‐PP resin (s‐PP#8) filled with CaCO 3 particles of varying content, size, and type of surface modification were investigated. All of the neat s‐PP resins investigated exhibited the expected shear‐thinning…
Abstract A brief overview is given on several aspects of applications of the Monte Carlo (MC) simulation method to surface‐related electron spectroscopy and microscopy. For the MC modeling of electron interaction with solids, the electron inelastic scattering cross section is calculated by the use of bulk dielectric f…