Materials Literature
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A spin density functional (SDFT) study of carboxylate-bridged and diazenido-bridged dinuclear gadolinium compounds is presented. Calculated magnetic coupling constants for the carboxylate-bridged structures are in good agreement with experimental data, confirming the ability of the broken symmetry approach used in thi…
We synthesized a series of amino substituted triarylboranes (TABs) 1-3 by copper(I)-catalyzed cross-coupling reactions. The title compounds were investigated by means of cyclic voltammetry (CV) and UV-visible absorption and fluorescence spectroscopy. Electrochemical oxidation of tris(4-carbazolyl-2,6-dimethylphenyl)bo…
We use computer simulations to study the mechanisms governing the linear viscoelasticity behavior of composites of spherical nanofillers dispersed in polymer melt matrices. Our results suggest that particles can influence the viscoelastic properties of the system by a variety of different mechanisms. On one hand, the…
The kinetics of photoinduced charge transfer reactions in covalently linked donor-acceptor molecules often undergoes dramatic changes when these molecules self-assemble from a molecular dissolved state into a nanoaggregate. Frequently, the origin of these changes is only partially understood. In this paper, we describ…
The synthesis of gold nanoplates was carried out in an aqueous solution by thermal reduction of HAuCl(4) with trisodium citrate in the presence of cetyltrimethylammonium bromide (CTAB) surfactant in just 5-40 min. The sizes of the gold nanoplates can be varied from as small as tens of nanometers in width, to several h…
A series of Ni(4) cubane complexes with the composition [Ni(hmp)(ROH)Cl](4) complexes 1-4 where R= -CH(3) (complex 1), -CH(2)CH(3) (complex 2), -CH(2)CH(2)(C(4)H(9)) (complex 3), -CH(2)CH(2)CH(2)(C(6)H(11)) (complex 4), hmp(-) is the anion of 2-hydroxymethylpyridine, t-Buhmp(-) is the anion of 4-tert-butyl-2-hydroxyme…
An uncommon oxygen absorption/desorption behavior is reported for the cation-stoichiometric cobalt oxide, YBaCo 4 O 7, structurally composed of two kinds of layers of corner-sharing CoO 4 tetrahedra. We have found that YBaCo 4 O 7+ δ absorbs and desorbs oxygen up to δ ≈ 1.5 in a narrow temperature range below 400 °C.…
It is shown that neural networks (NNs) are efficient and effective tools for fitting potential energy surfaces. For H2O, a simple NN approach works very well. To fit surfaces for HOOH and H2CO, we develop a nested neural network technique in which we first fit an approximate NN potential and then use another NN to fit…
The semiconductor-semiconductor transition of La2RuO5 is studied by means of augmented spherical wave (ASW) electronic structure calculations as based on density functional theory and the local density approximation. This transition has lately been reported to lead to orbital ordering and a quenching of the local spin…
Fe/Au nanoparticles have been chemically synthesized through a reverse micelle reaction and investigated by both conventional and synchrotron based x-ray diffraction and by magnetic and Moessbauer spectral studies. The powder x-ray diffraction patterns reveal both the presence of crystalline alpha-iron and gold and th…
The off-diagonal magneto-impedance in Co-based amorphous ribbons was measured using a pick-up coil wound around the sample. The ribbons were annealed in air or in vacuum in the presence of a weak magnetic field. The evolution of the first and second harmonics in the pick-up coil voltage as a function of the current am…
A new method is developed to homogeneously disperse single-walled carbon nanotubes bundles (SWNTs) in an intractable polymer, for example, ultrahigh molecular weight polyethylene ( M w > 3 × 10 6 g/mol) (UHMWPE). The dispersion is obtained by spraying an aqueous solution of SWNTs onto a fine UHMWPE powder directly obt…
Nanocomposite fibers of Bombyx mori silk and single wall carbon nanotubes (SWNT) were produced by the electrospinning process. Regenerated silk fibroin dissolved in a dispersion of carbon nanotubes in formic acid was electrospun into nanofibers. The morphology, structure, and mechanical properties of the electrospun n…
The wettability of electrospun poly(epsilon-caprolactone) (PCL) mats was improved by co-electrospinning with poly(vinyl alcohol) (PVA), by double-spinneret electrospinning method. The improved hydrophilicity of the hybrid PCL/PVA mats was confirmed by water contact angle measurement. The in vitro cell attachment on th…
We present the first structure determination by surface x-ray diffraction during the restructuring of a model catalyst under reaction conditions, i.e., at high pressure and high temperature, and correlate the restructuring with a change in catalytic activity. We have analyzed the Pt(110) surface during CO oxidation at…
In this paper, we demonstrate the effect of halide ions on the formation of biogenically prepared gold nanotriangles using the leaf extract of lemongrass (Cymbopogon flexuosus) plant. We have also studied the effect of halide ions on the morphology of biogenic nanotriangles. It has been shown that iodide ions have a g…
This tutorial review presents an introduction to the field of noble metal nanoparticles and their current applications. The origin of the surface plasmon resonance and synthesis procedures are described. A number of applications are presented that take advantage of the electromagnetic field enhancement of the radiativ…
We report studies of cuprate∕manganate bilayers deposited onto SrTiO3 substrates by laser ablation. A significant difference in the properties of the individual layers is observed depending on the material deposition sequence. The material which is on the bottom of the multilayer shows worse properties, e.g., a critic…
The 13 C and 15 N CPMAS spectra of a solid sample of Omeprazole have been recorded and all the signals assigned. The sample consists uniquely of the 6-methoxy tautomer. For analytical purposes, the signals of the other tautomer, the 5-methoxy one, were estimated from the data in solution (Magn.
Abstract A group of new amphiphilic poly(phenylacetylene)s bearing polar oligo(ethylene oxide) pendants, poly{4‐[2‐(2‐hydroxyethoxy)ethoxy]phenylacetylene} ( 1 ), poly(4‐{2‐[2‐(2‐hydroxyethoxy)‐ethoxy]ethoxy}phenylacetylene) ( 2p ), poly(3‐{2‐[2‐(2‐hydroxyethoxy)ethoxy]ethoxy}phenylacetylene) ( 2m ), poly(4‐{2‐[2‐(2‐m…