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 research (100* 40* 4 cm) solar cell panel was used in Baghdad at autumn season (2010), to get best solar cell panel angles experimentally, and then a mirror (40*50 cm) is use to concentrate incident sunlight intensity on a panel. At first case we get (Tilt angle ?P =60°and Surface Azimuth angle ?P =36°E) is the best angles and other case, we add a mirror at angle = 120° at bottom of panel, then we get output power (27.48watt) is bigger than without using a mirror (25.16watt). We can benefit from these cases in variety applications.
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The current research included obtaining the best performance specifications for a silicon device with a mono-crystalline type pn junction (pn–Si). A simulation of the device was performed by the use of a computer program in one dimension SCAPS-1D in order to reach the optimum thickness for both p and n layers and to obtain the best efficiency in performance of the pn-Si junction. The optimum device efficiency was eta (η) = 12.4236 % when the ideal thickness for the p and n layers was 5µm and 1.175µm, respectively (p=5 µm and n=1.75µm).
The research included studying the effects of different spectra of solar illumination using simulation of the device; the usual solar spectrum AM1_5 G1 sun. Spectrum
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The Impact of Intellectual trends on the nature of the Economic Structure of Iraq
The research dealt with the reservoir division for Upper Shale Member from Zubair formation in Luhais field, Where it was divided into six units of reservoir and non-reservoir, including the main reservoir unit 1C, which is the subject of research in this study, and studied in terms of thickness and lithology.
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... Show MorePM3 semiempirical method and Density Functional Theory (DFT) calculations of the type (B3LYP) and a Gaussian basis set (6-311G) were carried out for fullerene C60 molecule with its construction units (5radialene, 1,2,3-trimethylene indan, and corannulene), to evaluate the geometrical structure (bond lengths, symmetry, and energetic such as heat of formation ΔH0f, total energy Etot., dipole moment μ, EHOMO (highest occupied molecular orbital energy), ELUMO (lowest unoccupied molecular orbital energy), energy gap ΔEHOMO-LUMO), the distribution of electron density and vibration frequencies, all at their equilibrium geometries. Assignment of the vibrations modes was done according to the movement of the atoms as a result of DFT calculatio
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