Materials Literature
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Abstract We report molecular dynamics simulations which investigate the influence of two parallel free surfaces in the deformation mechanisms of model nanocrystalline fee materials. The purpose of this simulation is to study which phenomena observed in in-situ tensile experiments performed in the electron microscope c…
The synthesis and electrochemical properties of a new organic donor, (1,4-dioxan-2,3-diyldithio)dihydrotetrathiafulvalene (DODHT), and the crystal structures and physical properties of its superconducting salts are described. The DODHT molecule has the bulky dioxane ring condensed by cis fusion, and the reduced pi-ele…
Triruthenium dodecacarbonyl (Ru 3 (CO) 12 ) adsorption and decomposition on titania (TiO 2 ) were studied using infrared reflection absorption spectroscopy, temperature-programmed desorption, Auger electron spectroscopy, and scanning tunneling microscopy. It was found that the vapor-deposited cluster adsorbs with the…
The presence of calcium lactate (CaL2) crystals on the surface of Cheddar cheese is an appearance defect that consumer often attributes to mold. This problem is widespread in the cheese industry. The solubility of CaL2in water determines the likelihood of formation of CaL2crystals on the surface of Cheddar cheese. Ver…
Aluminum-containing mesoporous silica films were synthesized by the solvent evaporation method using tetraethoxysilane, aluminum tri( sec -butoxide), and octadecyltrimethylammonium chloride as the silica source, the alumina source, and a supramolecular template, respectively. The Al/Si ratios were 0.004−0.031 in the p…
This paper reports the initial process of the enzymatic degradation of solution-grown lamellar single crystals of bacterial poly[(R)-3-hydroxybutyrate] (P(3HB)) with an extracellular polyhydroxybutyrate (PHB) depolymerase purified from Alcaligenes faecalis T1. We used a hydrolytic-activity-disrupted mutant of the PHB…
Atomistic simulation calculations based on energy minimization techniques have been used to predict the O positional parameter of a wide range of A2B2O7 pyrochlore oxides. Cations studied range from Lu3+ to La3+ on the A site and Ti4+ to Pb4+ on the B site. In all cases the model included a specific predicted degree o…
Two new lipophilic tetraazamacrocycles were prepared and, in contrast to non-lipophilic analogs, found to be potent inhibitors of tumor cell growth in vitro with IC50 values below 10 micromolar.
A series of new luminescent iridium(III) terpyridine complexes functionalised with an isothiocyanate group, [Ir(tpy-R)(tpy-C6H4-NCS-p)](PF6)3 [R = H (1), C6H5 (2), C6H4-CH3-p (3), C6H4-Cl-p (4)] has been synthesised, characterised and their photophysical properties studied; the X-ray crystal structure of one of the in…
A novel d−f heterodinuclear Gd(III)−Ni(II) cryptate was synthesized by a stepwise method using the mononuclear Gd(III) cryptate as precursor. A quantitative analysis shows that the Gd(III)−Ni(II) interaction is of the ferromagnetic type.
A series of porphyrins 5–9 has been prepared, in which an aryl substituent is linked to the porphyrin via azo, imine, alkene and alkyne bridges. The strength of aryl–porphyrin electronic coupling in these systems was evaluated from the red shift and intensification of the Q band absorption and emission spectra, and fr…
We present the results of Monte Carlo simulations on a system of hard ellipsoids of revolution with length-to-breadth ratios a/b = 3, 2.75, 2, 1.25 and b/a = 3, 2.75, 2, 1.25. We identify four distinct phases, viz. isotropic fluid, nematic fluid, ordered solid and plastic solid. The coexistence points of all first ord…
Both mechanical and dielectric relaxation techniques were applied to investigate the microscopic transport mechanism of oxygen ion and to deduce the dynamical relaxation parameters in oxygen ion conductor ${\mathrm{La}}_{2}{\mathrm{Mo}}_{2}{\mathrm{O}}_{9}.$ In the mechanical relaxation measurement, a prominent relaxa…
We have analyzed the atomic arrangements and quantum conductance of silver nanowires generated by mechanical elongation. The surface properties of Ag induce unexpected structural properties, as for example, predominance of high aspect ratio rod-like wires. The structural behavior was used to understand the Ag quantum…
We observed anisotropic chemical reactivity of gold spheroids during cyanide dissolution and reaction with persulfate. Cyanide dissolution of 2−5 aspect ratio spheroids (with 12−30 nm short axis) starts at the ends of the long axis and leads to intermediate lower aspect ratio spheroids and spheres. Persulfate converts…
We report the synthesis of unusually thick poly(2-hydroxyethyl methacrylate) (PHEMA) films on gold surfaces by surface-initiated atom transfer radical polymerization (ATRP). Polymerization from the surface occurs rapidly at room temperature in aqueous media, resulting in the formation of 700 nm thick polymer films in…
In this communication, the synthesis and characterization of the first perovskite nanotubes made by sol−gel template synthesis is demonstrated. SEM shows that the structures formed are 200-nm outer diameter tubes with 50-μm lengths. TEM and electron diffraction reveal that the tubes are polycrystalline. In a compariso…
This article reviews recent work in the area of non-innocent behaviour in polynuclear metal complexes. Non-innocence, which occurs when metal-based and ligand-based redox orbitals are similar in energy, has been known since the first dithiolene complexes of the Ni triad. Our recent work in this field is with complexes…
Self-assembled micro/nanotubes (650−76 nm in diameter) of polyaniline (PANI) were synthesized in the presence of β-naphthalene sulfonic acid (β-NSA) as a dopant. It was found that the diameter and room-temperature conductivity of the PANI−NSA tubes decreased with the decrease of the molar ratio of β-NSA to aniline. On…
Electron paramagnetic resonance and Hall measurements show consistently the presence of two donors ( $D1$ and $D2$) in state-of-the-art, nominally undoped ZnO single crystals. Using electron nuclear double resonance it is found that $D1$ shows hyperfine interaction with more than 50 shells of surrounding ${}^{67}\math…