Materials Literature
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The solid phase epitaxy of an amorphous layer on crystalline silicon is studied by means of molecular dynamics. Three stacks of 5120, 4928, and 5184 atoms respectively oriented along the [100], [110], and [111] directions are annealed with the Tersoff interatomic potential. The regrowth proceeds via the motion of a pl…
Abstract The kinetics and mechanism for the reaction of NH 2 with HNO have been investigated by ab initio calculations with rate constant prediction. The potential energy surface of this reaction has been computed by single‐point calculations at the CCSD(T)/6‐311+G(3 df , 2 p ) level based on geometries optimized at t…
Abstract Raman spectroscopy measurements of polycrystalline Na 2 MoO 4 ·2H 2 O (NMHO) and Na 2 MoO 4 (NM) under hydrostatic pressure (from 0 to 10 GPa) were performed. This study allowed us to monitor the stretching and bending vibrations of MoO 4 ions as well as the translational modes as a function of pressure. The…
Four ion-pair complexes of [Ni(dmit)(2)](-) with [NO(2)bzql](+) have been obtained, which belong to two kinds of polymorph forms, [NO(2)bzql][Ni(dmit)(2)] (1alpha and 1beta) and [NO(2)bzql][Ni(dmit)(2)].CH(3)COCH(3) (2alpha and 2beta) (where dmit = 2-thioxo-1,3-dithiole-4,5-dithiolate and [NO(2)bzql](+) = 1-(4-nitrobe…
Silicon thermal conductivities are obtained from the solution of the linearized phonon Boltzmann transport equation without the use of any parameter-fitting. Perturbation theory is used to compute the strength of three-phonon and isotope scattering mechanisms. Matrix elements based on Fermi’s golden rule are computed…
Carpet is one of the textile structures that are subjected to compressive load in use. In this study, firstly the mechanism of pile deformation in a cut-pile carpet is investigated, and then a theoretical analysis of force and energy of deformation is presented. The elastic-stored bending energy is derived, and the fr…
Oxygen incorporation in the ${\text{Ti}}_{2}\text{AlC}$ $MAX$ phase and TiC was investigated in the electron microscope using spatially resolved fine-structure electron energy-loss spectroscopy analysis. Corresponding fine structures were calculated within the full-potential-linearized augmented plane-wave framework.…
An effective route for the synthesis of aliphatic polyesters made from adipic or sebacic acid and alkanediols, using inorganic acid as a catalyst is reported. The monomer composition, reaction time, catalyst type, and reaction conditions were optimized to yield polyesters with weight average molecular weights of 23,00…
We have developed dual-tagging sensors, operating via both surface-enhanced Raman scattering (SERS) and metal-enhanced fluorescence (MEF), composed of silver-coated silica beads onto which were deposited SERS markers and dye-grafted polyelectrolytes, for multiplex immunoassays. Initially, a very simple electroless-pla…
Abstract A series of polylactides tethered with polyhedral oligomeric silsesquioxane (POSS–PLAs) were synthesized via the ring‐opening polymerization of L ‐lactide with 3‐hydroxypropylheptaisobutyl polyhedral oligomeric silsesquioxane (3‐hydroxypropylheptaisobutyl POSS) at a concentration of 0.02–2.00 mol % in the pre…
Lead-free piezoelectric xLiNbO3–(1−x)(K0.52Na0.58)NbO3 (LKNN) (x=0, 0.04, 0.06, and 0.08) thin films on Pt/Ti/SiO2/Si(100) substrates were prepared by a sol-gel method. The effects of the Li substitution content on the crystal structure, microstructure, and electrical properties of LKNN films were investigated. The Li…
We report sublimation of crystalline GeTe nanowires at elevated temperatures in vacuum imaged by in situ transmission electron microscopy. The GeTe nanowires exhibit significant melting point suppression in the presence of Au contamination. A nanosized effusion cell is formed by coating the GeTe core with a SiO(2) she…
We show how changes in a local, high frequency dynamic process are correlated with the macroscopic behavior of glassy polymers. Polyvinylethylenes vitrified by different chemical and thermodynamic pathways exhibit different densities in the glassy state. We find that the rate and amplitude of a high frequency relaxati…
We report the first results of the low-temperature photoluminescence study on polycrystal zinc oxide (ZnO) films obtained by atomic layer deposition at 100 °C, 130 °C and 200 °C. These ZnO films, when studied 'as-grown', show a strong excitonic emission even at room temperature. Low-temperature (T = 9 K) photoluminesc…
We report a biocompatible polysiloxane containing amphiphilic diblock copolymer, poly(ethylene oxide)-block-poly(gamma-methacryloxypropyltrimethoxysilane) (PEO-b-PgammaMPS), for coating and stabilizing nanoparticles for biomedical applications. Such an amphiphilic diblock copolymer that comprises both a hydrophobic se…
Abstract Polyurethane (PU) fibers were obtained by electrospinning of waterborne PU dispersions. As dispersion cannot be electrospun, a water‐soluble polymer (poly (ethylene oxide) (PEO)) was dissolved in the PU dispersion and fibers were obtained from electrospinning the resulting mixture. Pure PU fibers were obtaine…
Weniger als 2.0 nm große Goldcluster – aber keine Goldnanopartikel – auf alkalisiertem Titansilicalit-1 können aus O2 und H2O Hydroperoxid (-OOH) erzeugen. Dieses wird auf benachbarte Ti-Zentren übertragen, wobei Ti-OOH-Gruppen entstehen (siehe Schema), die Propen in Propenepoxid (PO) umwandeln können.
This study aimed to assess the extractability of cadmium (Cd) and Cd uptake by rice after applying soil amendments of lime (Ca(OH)2) and sepiolite. A rice (Oryza sativa) cultivation experiment was conducted in a Cd-contaminated paddy field. After applying lime, sepiolite, and a mixture of the two as soil amendments, s…
ZnO/Cu/ZnO multilayer structures with very high conductivity have been obtained by magnetron sputtering. The Hall resistivity of the films was as low as 6.9×10−5 Ω-cm with a carrier concentration of 1.2×1022 cm−3 at the optimum copper layer thickness. The conduction mechanism has been explained in terms of metal to ox…
We have studied the current transport and electroluminescence properties of metal oxide semiconductor (MOS) devices in which the oxide layer, which is codoped with silicon nanoclusters and erbium ions, is made by magnetron sputtering. Electrical measurements have allowed us to identify a Poole–Frenkel conduction mecha…