Materials Literature
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We report here an electrodeposition route for the preparation of oriented and well-defined ZnO nanostructures by kinetically controlling the growth rates of various facets of the deposit by appropriate capping agents. We demonstrated that adsorption of Cl(-) takes places preferentially onto the (0001) planes to hinder…
There has been considerable recent interest in the design of diluted magnetic semiconductors, with a particular focus on the exploration of different semiconductor hosts. Among these, the oxide-based diluted magnetic semiconductors are attracting increasing attention, following reports of room temperature ferromagneti…
Single-wall carbon nanotube field-effect transistors (CNFETs) have been shown to behave as Schottky barrier (SB) devices. It is not clear, however, what factors control the SB size. Here we present the first statistical analysis of this issue. We show that a large data set of more than 100 devices can be consistently…
Abstract Summary: An original direct melt extrusion processing of nylon 6/clay nanocomposites was reported based on pristine (Na + ‐based) montmorillonite as well as a simple approach using a typical two‐screw extruder. By the application of intercalation agents as the thermodynamic assistants, this method is as an ap…
Abstract A series of new side‐chain cholesteric elastomers derived from cholesteryl 4‐(10‐undecylen‐1‐yloxy)‐4′‐ethoxybenzoate and phenyl 4,4′‐bis(10‐undecylen‐1‐yloxybenzoyloxy‐ p ‐ethoxybenzoate) was synthesized. The chemical structures of the monomers were confirmed by elemental analyses, Fourier transform infrared…
The variations of X-ray diffraction intensities from a crystal in the presence of a permanent external electric field is modeled analytically using a first-order stationary perturbation theory. The change in a crystal, induced by an external electric field, is separated into two contributions. The first one is related…
Helicobacter pylori has been implicated in the etiology of stomach cancer and ulcers. The activity of total extract and polarfraction of Iranian medicinal plants Dracocephalum moldavica, Lavandula angustifolia, Rosmarinus officinalis, Salvia officinalis, Teucrium polium, Thymus daenensis and Zataria multiflora from th…
Abstract Summary: The molecular dynamics of polymer melts with molecular weights above their critical values have been described by a power law dependence of the spin‐lattice relaxation time on the Larmor frequency. Three different regimes of power laws describing the relaxation dispersion of polymers for the chain mo…
Abstract Summary: Four dendritic polyesters containing non‐linear optical chromophores on the periphery were synthesized and their material properties were compared for electro‐optic device applications. Thermal and optical parameters of the dendrimer materials were measured along with structural analysis. A high chro…
Functional polyimides have been prepared in a bead form by nonaqueous suspension polycondensation. A molybdenum(VI) complex was supported on the functional polyimide particulates containing a triazole group and used as a catalyst in the liquid-phase epoxidation of higher olefins with tert -butyl hydroperoxide as the o…
The protein-resistant polycationic graft polymer, poly(L-lysine)-g-poly(ethylene glycol) (PLL-g-PEG), was uniformly adsorbed onto a homogenous titanium surface and subsequently subjected to a direct current (dc) voltage. Under the influence of an ascending cathodic and anodic potential, there was a steady and gradual…
A new method for determining the permeability of thin films has been developed. A molecular beacon immobilized inside a porous silica particle that is subsequently encapsulated within a thin film can be used to determine the size of DNA that can permeate through the film. Using this technique, it has been determined t…
The replacement of phenylethanethiolate (SC2Ph) ligands on 1.1 nm (core diameter) Au38(SC2Ph)24 monolayer-protected clusters (MPCs) with varied amounts of triphenylphosphine (PPh3) is investigated in methylene chloride. UV-vis spectra suggest that changes in the MPC Au core size occur when large amounts (> 10 equiv mo…
Spin-polarized density functional calculations are carried out on Er and Er-oxygen defects in crystalline Si. We find that the interstitial site is favored but the diffusion barrier of ${\mathrm{Er}}_{i}$ is only 1.9 eV, and inevitably ${\mathrm{Er}}_{i}$ forms complexes with impurities and intrinsic defects following…
We describe the development of a combined molecular dynamics (CoMoD) method designed to replace classical molecular dynamics in order to accelerate the computation of displacement cascades with energies in the 70--100 keV range. The method involves two steps. The ballistic phase of the cascade is first calculated usin…
For a twinned face-centered-cubic crystal, the energy barrier for two-dimensional nucleation on a concave trough (or a re-entrant edge) and that for a layer advancing across a convex ridge were calculated. The former was obtained by analyzing the line tension of the trough. The results show that their energy barriers…
A combined molecular dynamics method is proposed to accelerate the computation of displacement cascades in nuclear glass arising from recoil nuclei in the 70--100 keV energy range. The method combines two types of molecular dynamics calculations: classical MD with standard empirical potentials and a simplified form wi…
The electron density and atomic displacements in the perovskite SrTiO(3) have been studied using extensive and accurate gamma-ray diffraction data (lambda = 0.0392 A) at room temperature. The six strongest low-order structure factors have been determined under extinction-free conditions. Gram-Charlier series expansion…
We have performed classical molecular dynamics on different kinds of carbon nanotubes in order to examine their response to self-irradiation nearly parallel to the tube axis. We have found that the critical angle for channeling decays as a power law. Following the energy loss along the projectile path, we have determi…
We investigate the nonlinear optical (NLO) polarizations for various geometric arrangements of the dipolar chromophores in a calix[n]arene geometry. The interactions were studied by using (HF)3 as model compounds both in parallel and frustrated orientations. The interdipolar angle between the monomer molecules is vari…