Ab – initio restricted Hartree - Fock method within the framework of large unit cell (LUC) formalism is used to investigate the electronic structure of Si and Ge nanocrystals. The surface and core properties are investigated. A large unit cell of 8 atoms is used in the present analysis. Cohesive energy, energy gap, conduction and valence band widths are obtained from the electronic structure calculations. The results are compared with available experimental data and theoretical results of other investigators. The calculated lattice constant is found to be slightly larger than the corresponding experimental value because we use only 8 atoms and we compared the results with that of the bulk crystals, nanoclusters are expected to have stronger directional bonds that in their bulk structure. The surface states are found to be mostly non-degenerated because of the effect of surface discontinuity and the existence of oxygen atoms. Valence and conduction bands are found to be wider on the surface due to the splitting of energy levels due to the existence of oxygen atoms. The present method can be used to investigate the electronic structure of bulk, surface and nanocrystals.
In this work, thin films of cadmium oxide: nickel oxide (CdO: NiO) were prepared by pulsed laser deposition at different pulse energies of Nd: YAG laser. The thin films' properties were determined by various techniques to study the effect of pulse laser energy on thin films' properties. X-ray diffraction measurements showed a mixture of both phases. The degree of crystallinity and the lattice constant increase with the laser energy increase, while the lattice strain decreases. FE-SEM images show that the substrates' entire surface is uniformly covered, without any cracks, with a well-connected structure consisting of small spherical particles ranging in size from 15 to 120 nm. Increasing the laser power causes to increase the pa
... Show MoreDensity Functional Theory (DFT) at the B3LYP/ 6-311G basis set level and
semiemperical methods (PM3, AM1, and MINDO/3) were performed on six new
substituted Schiff bases derivatives of INHC (N-(3-(phenylidene-allylidene)
isonicotinohydrazide) using Gaussian-03 program. The calculated quantum chemical
parameters correlated to the inhibition efficiency were studied and discussed at their
equilibrium geometry and their correct symmetry (Cs). Comparisons of the order of
inhibition efficiency of the Schiff bases derivatives, and local electrophilic and
nucleophilic reactivity have analyzed. Some physical properties also were studied
such as heat of formation, total energy and dipole moment...etc. Also vibration
freq
In this work proton exchange membranes were prepared by a modified microwave casting solution technique, using the polymers blend (polyethersulfone (PES), polystyrene (PS), polyvinylidenefluride (PVDF)). Modified casting method was used to overcome the poor compatibility between hydrophilic, (PES, PS) and hydrophobic PVDF, by cooling the substrate during the film casting process to (4.5-5.5oC). Membranes were chemically modified by three reaction types to study the differences between their effects on the required properties for microbial fuel cell application. These methods use blend organic sulfonic acid precasting process and sulfonation by sulfuric acid post-casting process (APS), blending organic
... Show MoreIn this research PbS and PbS:Cu films were prepered with thicknesses (0.85±0.05)?m and (0.55±0.5)?m deposit on glass and silicon substrate respectively using chemical spray pyrolysis technique with a substrate temperature 573K, from lead nitrate salt, thiourea and copper chloride. Using XRD we study the structure properties for the undoped and doped films with copper .The analysis reveals that the structure of films were cubic polycrystalline FCC with a preferred orientation along (200) plane for the undoped films and 1% doping with copper but the orientation of (111) plane is preferred with 5% doping with the rest new peaks of films and appeared because of doping. Surface topography using optical microscope were be checked, it was found
... Show MoreThe percent work was designed to determine the effect of ginger plant aqueous extract on function and histological structure of kidney in mice treated with carbon tetrachloride (CCl4). Ginger plant caused a protective effect against CCl4 induced kidney damage and improved the kidney weight and biochemical parameters including urea, uric acid and creatinine. The ginger plant has a protective effect against injury in the kidney of mice treated with CCL4, because the ginger plant protects the tissues of kidney from toxic effect of CCL4. The kidney of CCL4 treated mice showed many histological alterations in the kidney included: atrophy, vascular degeneration and hemorrhage, death cell, degeneration of epithelial cells, destruction of basement
... Show MorePregnancy pose an additional burden on the body of the mother so as to meet their needs and the needs of the fetus and the body's need to iron increases excessively during pregnancy and iron is an essential element for the formation of hemoglobin blood Either hemoglobin is the key ingredient for red blood cells which carries oxygen to parts of the body, alas, most of the pregnant women begin their pregnancy inadequate stocks of iron in their bodies, which does not cover their need and requirement of the fetus, especially in the second and third trimesters of pregnancy When you reach the mother to the period in which they did not have the adequate amount of iron to produce hemoglobin become the mother was anemic So emerged the problem of
... Show MoreThis research paper aimed to quantitively characterize the pore structure of shale reservoirs. Six samples of Silurian shale from the Ahnet basin were selected for nitrogen adsorption-desorption analysis. Experimental findings showed that all the samples are mainly composed of mesopores with slit-like shaped pores, as well as the Barrett-Joyner-Halenda pore volume ranging from 0.014 to 0.046 cm3/ 100 g, where the lowest value has recorded in the AHTT-1 sample, whereas the highest one in AHTT-6, while the rest samples (AHTT-2, AHTT-3, AHTT-4, AHTT-5) have a similar average value of 0.03 cm3/ 100 g. Meanwhile, the surface area and pore size distribution were in the range of 3.8 to 11.1 m2 / g and 1.7 to 40 nm, respectively.
... Show MoreResearchers have identified and defined β- approach normed space if some conditions are satisfied. In this work, we show that every approach normed space is a normed space.However, the converse is not necessarily true by giving an example. In addition, we define β – normed Banach space, and some examples are given. We also solve some problems. We discuss a finite β-dimensional app-normed space is β-complete and consequent Banach app- space. We explain that every approach normed space is a metric space, but the converse is not true by giving an example. We define β-complete and give some examples and propositions. If we have two normed vector spaces, then we get two properties that are equivalent. We also explain that
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