Materials Literature
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The ``S-shape'' (decrease-increase-decrease) temperature dependence of luminescence peak shift from semiconductors is considered. A luminescence model for localized state ensemble was employed to interpret this anomalous temperature dependence of emission peak. Excellent agreement between the theoretical calculation a…
Magnetic thin films exhibit a strong variation in properties depending on their degree of disorder. Recent coherent x-ray speckle experiments on magnetic films have measured the loss of correlation between configurations at opposite fields and at the same field, upon repeated field cycling. We perform finite temperatu…
We use molecular simulations to explore how sample dimensions and interfacial properties impact some generic aspects of the mechanical and structural behavior of nanoconfined materials. Specifically, we calculate the strain-dependent properties of minimum-energy thin-film particle configurations (i.e., inherent struct…
Reversible addition fragmentation chain transfer (RAFT) polymerization was used for the first time to produce poly(methyl methacrylate) hyperbranched polymers via the one-pot copolymerization of methyl methacrylate (MMA) and ethylene glycol dimethacrylate, mediated by 2-(2-cyanopropyl) dithiobenzoate. Hyperbranched st…
The interaction between multiwalled carbon nanotubes (MWCNTs) and aqueous poly(diallyl dimethylammonium) chloride (PDDA) was studied by X-ray photoelectron (XPS) and photoacoustic Fourier transform infrared (PA-FTIR) spectroscopies. We have found that the mild sonication of MWCNTs in aqueous PDDA results in a signific…
Destabilization of LiBH4 for reversible hydrogen storage has been studied using MgH2 as a destabilizing additive. Mechanically milled mixtures of LiBH4 + (1/2)MgH2 or LiH + (1/2)MgB2 including 2-3 mol % TiCl3 are shown to reversibly store 8-10 wt % hydrogen. Variation of the equilibrium pressure obtained from isotherm…
Both poly(ethylene oxide) (PEO) and poly(methyl methacrylate) (PMMA) were melt intercalated in a sequential or simultaneous (blend) manner into two layered silicates, a sodium montmorillonite (MMT) and an organically modified bentonite (B34). The B34 nanoclay, which was already pre-intercalated to the point of saturat…
Die Spin-Hamilton-Parameter in einem isolierten oktaedrischen NiII-Komplex (siehe Struktur) wurden durch eine Kombination unterschiedlicher Techniken (Magnetisierung, HF-HFEPR, FDMRS) mit Angular-Overlap-Modell-Rechnungen präzise bestimmt. Dieser Komplex weist die bisher höchste Anisotropie der magnetisch leichten Ach…
The present study examines the influence of a goldbonder and pre-heat treatment of the titanium on the adhesion of porcelain. Three groups of titanium substrates were given various heat treatments, namely; none, 200 degrees and 600 degrees C, respectively before applying goldbonder. The surfaces of the titanium specim…
Spot on! Resonant scattering enables accurate localization of the individual cations in powders by the routine use of “anomalous differential patterns” and “dispersive difference maps” (see picture), as demonstrated for (Sr,Rb) zeolite X, a sample of potential industrial interest.
Propofol (2,6-diisopropylphenol), a very important drug, is typically synthesized by the isopropylation of phenol over an acid catalyst. This process consists of two series reactions, namely, the formation of 2-isopropylphenol and its further isopropylation to 2,6- and 2,4-diisopropylphenols. The selectivity to 2,6-di…
A new tomographic technique, based on synchrotron X-ray diffraction, has been used to chart polymorphic content and crystallite alignment inside a model pharmaceutical reactor. This reveals complex behavior according to crystallite shape/size characteristics; in particular, stirring induces pronounced crystal zonation…
Abstract The elastic properties of cristobalite and quartz, the typical polymorphs of SiO 2 , are studied with particular emphasis on the structural phase transition and the high‐temperature phase. Using the equilibrium molecular dynamics (MD) method with a stress‐fluctuation formula, we have successfully evaluated th…
The adsorption and reaction of methanol (CH(3)OH) on stoichiometric (TiO(2)-terminated) and reduced SrTiO(3)(100) surfaces have been investigated using temperature-programmed desorption (TPD), X-ray photoelectron spectroscopy (XPS), and first-principles density-functional calculations. Methanol adsorbs mostly nondisso…
Abstract The molecular structures of methacryl‐grafted polysiloxane resins from 3‐(trimethoxysilyl)propyl methacrylate (MPTS) and diphenylsilanediol (DPSD) were determined by theoretical computation and experimental measurement. The molecular structures obtained from theoretical computation coincided well with those f…
Abstract Monte Carlo simulations of two three‐dimensional hard‐body models, hard dimers and hard cyclic trimers, were performed in the NpT ensemble. The Poisson's ratio was determined for degenerate crystalline phases in both systems. In contrast to the results of analogous simulations in two‐dimensions, positive valu…
We studied the microstructure of GdBa2Cu3O7−δ∕La0.6Sr0.4MnO3 superlattices grown on (001)MgO substrates by high-resolution transmission electron microscopy. The superlattices show two different epitaxial growths. In addition different types of interfaces between the layers were found. Moreover, several kinds of stacki…
Wire-like crystals of tetrathiafulvalene-tetracyanoquinodimethane (TTF–TCNQ) charge-transfer complexes were grown under a static electric field by employing electric-field assisted evaporation. TTF–TCNQ molecular wires grew from the edges of two gold electrodes opposite to each other along the electric lines of force,…
The valence band structure of the ( ) surface of wurtzite ZnO has been investigated by angle-resolved photoelectron spectroscopy utilizing polarized synchrotron radiation. The energetic position and the dispersion width of the O 2p dangling-bond (DB) state are determined along the high symmetry axes of the surface Bri…
More than the sum of its parts: A simple synthetic procedure yields a bimodal nanosponge based on FePt cores and ZnS branches (see picture). Sequential addition of sulfur and Zn(acac)2 into a colloidal solution of FePt nanoparticles (≈2.5 nm) provides a template-free route to a spongelike nanonetwork. Besides preservi…