Materials Literature
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We have studied the interaction of atomic hydrogen with (5,5) and (10,0) single-walled carbon nanotubes (SWNT) using density functional theory. These calculations use Gaussian orbitals and periodic boundary conditions. We compare results from the local spin density approximation, generalized gradient approximation (GG…
Abstract Summary: The effects of a reversible chemical reaction on morphology and dynamics of phase separating binary mixtures with viscosity difference are studied by numerically solving modified time‐dependent Ginzburg‐Landau and Navier‐Stokes equations. Much more interesting morphologies are observed in the system…
Abstract Summary: Monte Carlo simulation utilizing the bond fluctuation model in conjunction with single and configurational biased Monte Carlo moves is used to study the adsorption of diblock (A‐ block ‐B) and alternating (A‐ alt ‐B) copolymers at flat, chemically heterogeneous surfaces comprising C and D domains. Th…
A high activity and large capacity of hydrogen storage alloy Mg2Ni by hydriding combustion synthesis was investigated by means of pressure composition isotherms, X-ray diffraction and scanning electron microscopy. The results showed that the maximum hydrogen absorption capacity of Mg2Ni is 3.25 mass fraction at 523 K,…
Thermal oxidation of Fe 2+ in tourmalines of the schorl-dravite series induced by gradual annealing of powdered samples in air above 600°C was studied using X-ray diffraction and Mossbauer spectroscopy. The a unit-cell parameter distinctly decreases, while the c parameter even slightly increases during the oxidation a…
High-resolution x-ray photoelectron spectroscopy has been used to study the kinetics of the CO oxidation reaction on a Pt(111) surface in situ. The study focuses on the interaction of a preadsorbed p(2x2) layer of atomic oxygen with CO dosed using a supersonic molecular beam. Measurements of O 1s and C 1s spectra at 1…
Thin films of SmNiO3 were grown on LaAlO3 (012) substrates using the injection-MOCVD process, a method which has been in the past successfully applied to the growth of high-quality epitaxial oxide thin films. Our investigation of as-deposited films by X-ray diffraction allows concluding on the presence of a pure SmNiO…
Abstract Summary: An amino‐functionalized bipyridine ligand was prepared in order to serve as a bridging unit to an activated low‐molecular‐weight monomethyl ether of poly(ethylene glycol) (PEG). Coordination of a ruthenium( II ) phenantroline precursor onto the formed PEG‐containing bipyridine ligand yielded a metal‐…
The accumulation of organic matter in volcanic soils may modify their properties and characteristics. Soil complexity makes difficult to assign the relative importance of organic matter in determining soil behavior. If changes in soil properties can be associated with the soil organic carbon (OC) content, a better und…
In this study, water dispersed paints were produced using polyester polyol, isophorone diisocyanate (IPDI) and hydrophilic monomers. Two sets of experiments were performed. In the first group, the effects of various proportions of the hydrophilic monomers dimethylol propionic acid (DMPA) and tartaric acid (TA) on the…
We attempted to purify ATP citrate lyase (ACL) from Hydrogenobacter thermophilus by following the citrate-, ATP- and CoA-dependent formation of an acyl-CoA species that was detected as hydroxamate. However, citryl-CoA rather than acetyl-CoA was found, indicating that the purified enzyme was a novel citryl-CoA syntheta…
Thin films of Co2MnSi have been grown on a-plane sapphire substrates from three elemental targets by do magnetron cosputtering. These films are single phase, have a strong (110) texture, and a, saturation magnetization of 4.95mu(B)/formula unit at 10 K. Films grown at the highest substrate temperature of 715 K showed…
Wet-chemical analyses (41) of tourmaline from granitic pegmatites (barren, barren-pocket, beryl, lepidolite types) in the Moldanubicum, Czech Republic revealed that members of the oxy-subgroup ĄV common oxy-schorl, minor oxy-dravite and rare oxy-foitite are more abundant relative to the relevant members of the hydroxy…
Abstract Born more out of necessity, the “awareness‐attitude” of our society has caused the channeling of technological developments toward immediate economic and ecological benefits. The polymer industry has a newfound interest in fillers from industrial by‐products and other waste materials having potential “recycla…
The hard skeleton of sea urchin spines consists of a monolithic single crystalline magnesian calcite with typical contents of MgCO 3 ranging from 2 to 12 mol% and about 0.1 weight% of occluded organic macromolecules. These macromolecules take effect on the calcite crystal growth, forming the spine shape in a porous sp…
First-principles calculations within the density functional theory have been performed in order to investigate ozone adsorption on carbon nanotubes. Particular emphasis is placed on the effects of Stone-Wales-like defects on the structural and electronic properties of (i) ideal tubes and (ii) tubes in the presence of…
Nineteen tourmaline samples of various provenances and geological settings were studied by EMPA, SREF and MS to represent the schorl-dravite compositional field. All samples belong to the Alkali group (except one with an X-site vacancy content of 0.53 apfu) and to the Oxy- and Hydroxy- subgroups. Among divalent cation…
A simplified mode-coupling theory (MCT) of ergodic-nonergodic transitions, in conjunction with an accurate two-component polymer reference interaction site model (PRISM) theory for equilibrium structural correlations, has been systematically applied to investigate gelation, localization, and elasticity of flexible pol…
Lithographically designed two-dimensional arrays consisting of gold nanoparticles deposited on a smooth gold film are used as substrate to examine the SERS effect of the trans-1,2-bis (4-pyridyl) ethylene molecule. These arrays display two plasmon bands instead of the single one observed for the same arrays of particl…
Electron spin qubits in semiconductors are attractive from the viewpoint of long coherence times. However, single spin measurement is challenging. Several promising schemes incorporate ancillary tunnel couplings that may provide unwanted channels for decoherence. Here, we propose a novel spin-charge transduction schem…