Band gap and band offsets of GaNAsBi lattice matched to GaAs substrate

In this paper, we calculate the band gap and the band discontinuities of a GaN _y AsBi _x structure lattice matched to GaAs substrate using the conduction and the valence band anticrossing models at the same time. The results obtained show a good agreement with experiment. The nitrogen and the bismuth concentrations leading to a wavelength emission of 1.55 μm have been determined (x = 3.5%, y = 2%). This structure shows a good electron confinement resulting in a high characteristic temperature.     

Explicit H1-Estimate for the Solution of the Lamé System with Mixed Boundary Conditions

In this paper we consider the Lamé system on a polygonal convex domain with mixed boundary conditions of Dirichlet-Neumann type. An explicit L² norm estimate for the gradient of the solution of this problem is established. This leads to an explicit bound of the H¹ norm of this solution. Note that the obtained upper-bound is not optimal.     

Novel palladium nanoparticles supported on mesoporous natural phosphate: Catalytic ability for the preparation of aromatic hydrocarbons from natural terpenes

Various ratios of palladium nanoparticles supported on mesoporous natural phosphate (Pd@NP) were prepared using the wetness impregnation method. The prepared catalysts were characterized by IR, XRD, CV, SEM, EDX, XRF, TEM and BET analysis. The reduction and preparation of the palladium nanoparticles afford a crystallite size of 10.88 nm. The performance of the synthesized catalyst was investigated in the solvent-free dehydroaromatization of α-, β- and γ-himachalene mixture from Cedrus atlantica oil as a model substrate. In order to achieve an efficient and selective catalysis, the catalytic dehydroaromatization of various terpenes such as limonene, limonaketone, carvone, carveol and perillyl alcohol was studied. The Pd@NP catalyst performed a high catalytic activity, selectivity and recyclability in the terpenes dehydroaromatization reaction.     

Analytical solution of optimal Meixner-like pole

In this paper, we prove the possibility of optimization of some free parameters of Meixner-like discrete-time linear filters using orthonormal basis functions (OBF) in an analytical way. Since the z-transform of the Meixner filters is impossible and it is possible for Meixner-like filters, we are motivated to study closely the optimization of the Meixner-like's pole. As a result, the differential equation associated with Meixner-like filters has been developed. On the other hand, the effective width of the energy distribution in the transformation domain is a function of the free parameter (Meixner-like pole) and simple signal measurements and can be calculated by the second-order moment. Analytic minimization of the second-order moment gives an optimal value of the free parameter. To validate the effectiveness of the proposed approach, numerical results are used to determine the free parameters.     

Novel hybrid materials based on poly (4,4′-Diaminodiphenyl sulfone) and TiO2 nanoparticles: synthesis,characterization, physical and electrochemical properties

Research on Chemical Intermediates - Innovative hybrid composites based on poly (4,4'-Diaminodiphenyl sulfone) (PDDS) and TiO2 nanoparticles have been synthesized. The samples have been...     

Distances entre exponentielles et puissances d’éléments de certaines algèbres de Banach

Let A be a Banach algebra which does not contain any nonzero idempotent element, let γ > 0, and let . We show that if then . We also show, assuming a suitable spectral condition on x, that if , then Received: 12 July 2006 Revised: 31 January 2007     

Characterization of extracts from Papaver rhoeas and potential valorization of these extracts in dyeing applications

The aim of our work is to study the dyeing properties of extracts from natural sources such as Papaver rhoeas by modifying the conditions of the dyeing process, choosing other substrates that could be pretreated by innovative and environmentally friendly processes. The results obtained show a fairly high fixation of the extracts on the natural and artificial fibers. The use of mordants allowed the dye to be better fixed on the dyed fibers and to give several shades to the fabric. The rate of essential oil contained in Papaver rhoeas was considered important by the Clevenger process. Screening of extractive revealed the presence of polyphenols, saponins, sterols, alkaloids and flavonoids. In this study, the extractive from Papaver rhoeas was investigated as textile dyestuff.     

The Effect of Conducting Boundaries on the Onset of Convection in a Porous Layer Which is Heated from Below by Internal Heating

The onset of convection in a porous layer heated from below is considered, and we determine how the presence of two solid but heat-conducting bounding plates of finite thickness alters the manner in which convection ensues. Heat is generated by the lower plate (with an insulating lower boundary), but the upper one is passive with a fixed upper boundary temperature. It is shown that this composite layer may mimic in turn one of the three different types of classical single-layer onset problems which are well-known in the literature. The type which is selected (or indeed whether it corresponds to a transitional case) depends quite critically on the precise values of the relative thickness of the solid layers and their conductivity ratio. It is also shown that care needs to be taken over declaring that the solid plates are thin: extreme values of the conductivity ratio can yield a stability criterion which appears to be different from that suggested by the imposed boundary conditions.     

Synthesis and Molecular Structure Investigation by DFT and X-Ray Diffraction of ARNO

Abstract  

We report here the synthesis of (Z)-5-(4-nitrobenzyliden)-3-N(2-ethoxyphenyl)-2-thioxo-thiazolidin-4-one (ARNO) compound. The crystal structure has been determined by X-ray diffraction. The compound crystallizes in the triclinic system with space group P[`1] P\bar{1} and cell parameters: a = 9.1289(19), b = 9.3717(7), c = 12.136(3) ?, α = 102.133(11)°, β = 90.99(2)°, γ = 117.165(9)°, V = 895.4(3) ?³ and Z = 2. The structure has been refined to a final R = 0.05 for 2591 observed reflections. The refined structure was found to be significantly non planar. The molecule exhibits intermolecular hydrogen bond of type C–H⋯O and C–H⋯S. ab initio calculations were also were performed at Hartree–Fock and density functional theory levels. The full HF and DFT geometry optimization was carried out using LANL2DZ, 6-31G* and B3LYP/6-31+G** basis sets. The optimized geometry of the title compound was found to be consistent structure determined by X-ray diffraction. The minimum energy of geometrical structure is obtained by using level HF/LANL2DZ basis sets.     

First-principles calculations of adhesion,bonding and magnetism of the Fe/HfC interface

First-principles plane-wave pseudopotential calculations of the adhesion, bonding and magnetism of the interface between the ferromagnetic bcc Fe and non-magnetic HfC are performed. The work of adhesion for C- and Hf-site Fe/HfC interfaces is calculated. High adhesion at C-site interface is found and Fe–C polar covalent bonds are formed across the interface. The magnetic moments of Fe atoms at interface are increased in both interfaces. The effect of the magnetism on the electronic structure of Fe/HfC interface is also investigated. It is shown that the change in band of majority-spin leads to enhance the magnetic moment of Fe.