Materials Literature
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A one-dimensional chain containing a mixed-valence octanuclear manganese(II,III) building unit, (NEt(4))(2n)[Mn(8)O(2)(salox)(6)(N(3))(8)(MeOH)(3)](n) (H(2)salox = salicylaldoxime), was synthesized and characterized structurally and magnetically. Each building unit contains a [Mn(II)(2)Mn(III)(6)O(2)](18+) structural…
The hexagonal rhabdophane-type GdPO(4) hydrate (GdPO(4).nH(2)O) was synthesized via a simple hydrothermal process. The size and morphology of the products can be tunable by adjusting the pH of reaction systems through the addition of aqueous NaOH. The nanorods with a width of 50-100 nm and a length of about 1 microm w…
We performed ab initio density functional theory calculations to investigate ferroelectricity at PbTiO(3) surface steps consisting of (100) and (001) surfaces with the polar axis in the [010] direction. Ferroelectricity was enhanced at PbO-terminated surface steps due to enhanced covalent Pb-O bonding because of the l…
When proteins are removed from their native state they suffer from two deficiencies: (1) glassy behavior with glass transition temperatures (Tg) well above room temperature and (2) thermal instability. The glassy behavior originates in multiple hydrogen bonds between amino acids on adjacent protein molecules. Proteins…
Drop shape techniques are widely used for surface tension measurement. As the shape becomes close to spherical, the performance of drop shape techniques deteriorates. A quantitative criterion called shape parameter was previously introduced to quantify the meaning of "well-deformed" drops and "close to spherical" drop…
We report the observation of the giant magnetoresistance effect in semiconductor-based GaMnAs/GaAs:Be multilayers. Clear transitions between low-field-high-resistance and high-field-low-resistance states are observed in selected samples with Be-doped nonmagnetic spacers. These samples also show negative coercive field…
In this report, we have shown that the encapsulation of the terbium 2-methylimidazole-4,5-dicarboxylic acid complex into inorganic host tetraethoxysilance is considered to be an efficient way for the design of anion sensors. Strong green emission still can be observed when it disperses in pure water. It was found that…
In this work, we show that two competing equations of state, the first one derived from some effective approximation of intermolecular potential suspected to be responsible for so-called "thermodynamic scaling" and the second one following from the definition of isothermal bulk modulus, are able to describe very well…
Dipolar colloid particles tend to align end-to-end and self-assemble into micro- and nanostructures, including gels and cocrystals depending on external conditions. We use molecular dynamics computer simulation to explore the phase behavior including formation, structure, crystallization, and/or gelation of binary sys…
The development history of polarization gratings (PGs), with origins in holography and Bragg gratings, accentuated and reinforced their perception as gratings. We highlight their nature as waveplates - diffractive waveplates (DWs) - and stress their family connection to vector vortex waveplates. This approach provides…
By means of molecular dynamics simulations, dynamical properties of racemic ibuprofen glass-forming liquid are investigated at different temperatures from 360 to 500 K. The origin of the peculiar low amplitude Debye-type relaxation observed experimentally by dielectric relaxation spectroscopy is addressed (Bras, A. R.…
Surface chemistry involved in the epitaxy of graphene by sublimating Si atoms from the surface of epitaxial 3C-SiC(111) thin films on Si(111) has been studied. The change in the surface composition during graphene epitaxy is monitored by in situ temperature-programmed desorption spectroscopy using deuterium as a probe…
We study the magnetic properties of graphene edges and graphene/graphane interfaces under the influence of electrostatic gates. For this an effective one-dimensional low-energy theory for the edge states, which is derived from the Hubbard model of the honeycomb lattice, is used. We first study the edge-state model in…
The A(1), E(1) and E(2) Raman active modes in hexagonal YMnO(3) and LuMnO(3) single crystals are studied as a function of temperature and compared with previous measurements. In addition to anharmonicity, some phonon frequencies show below T(N) anomalous temperature dependences that reflect the atomic displacements wh…
We have investigated the absorption of 0.9-1.4 nm silicon carbide nanoparticles (SiC NPs) by time-dependent density functional calculations, focusing on the effect of various oxygen adsorbates of the surface. We have found that Si-O and C-O single bonds result in relatively large optical gaps in the ultraviolet region…
The temperature-dependent hydrolysis and solubility of chitosan in sulfuric acid solutions offer the possibility for chitosan extraction from zygomycetes mycelia and separation from other cellular ingredients with high purity and high recovery. In this study, Rhizomucor pusillus biomass was initially extracted with 0.…
We present and discuss a variance-reduced stochastic particle simulation method for solving the relaxation-time model of the Boltzmann transport equation. The variance reduction, achieved by simulating only the deviation from equilibrium, results in a significant computational efficiency advantage compared with tradit…
The effect of phase composition and molecular mobility on oxygen permeability is studied for stretched films prepared from polyamide 6 (PA6) and a blend of PA6 with semiaromatic amorphous polyamide (aPA)−PA6/aPa, which is a random co-polyamide containing iso- and terephthalic chain units. The effect of stretching degr…
A novel two-step bottom-up approach to construct a 2D long-range ordered, covalently bonded fullerene/porphyrin binary nanostructure is presented: in the first place, reversible supramolecular interactions between C60 and 5,15-bis(4-aminophenyl)-10,20-diphenylporphyrin are exploited to obtain large domains of an order…
We describe the synthesis of gold nanoparticles upon reduction of Au 2 O 3 by molecular hydrogen. The reaction generates particles that contain no foreign stabilizer other than gold or water species. The reaction readily proceeds at slightly elevated temperatures and somewhat higher than atmospheric pressure of H 2, a…