A theoretical calculation of the reorientation energy for non adiabatic electron transfer at
interface between metal and semiconductor system was carried out. The continuum outer
sphere theory of electron transfer reaction has been extensively used for electron transfer
between metal/semiconductor interface .It is found that in these calculations the reorientation
energy is proportional to the optical and statistical dielectric constant of semiconductor ,
properties of metal ,and the distance between metal and semiconductor .Results of
reorientation energy show that ZnO semiconductor with metal Au possess a good matching as
compared with ZnS and ZnSe . Theoretical calculation showed a good agreement with
experimental value.
Metal complexes of Cu (II), Fe (III) and Mn (II) with Quinaldic acid (L1) and 1, 10-Phenathroline (L2) are synthesized and characterized by standaral physic- chemical procedures (element analysis, metal analysis, FTIR, Uv-Vis, magnetic moment and conductometeric measurements). On the base of these studies, mononuclear and six coordinated octahedral geometry and nonelectrolyte of these complexes have been proposed. The standard heat of formation (?Hºf) and binding energy (?Eb) for the free ligands and their complexes are calculated by using the PM3 method at 273K of Hyperchem.-8 program. The complexes are more stable than their ligands. Moreover, the electrostatic potential of free ligands are measured to investigate the reactive site of th
... Show MoreNew metal complexes of the ligands 2-benzamido benzothiazole(B1), and 2-actamido benzothiazole(B2) with metal ions Ni(II),and Co(II) were prepared in alcoholic medium. The prepared complexes were characterized by FT-IR and electronic spectroscopy, Magnetic susceptibility, Flame Atomic Absorption technique as well as elemental analysis and conductivity measurement. From the spectral studies, an octahedral monomer structure proposed for Ni(II) complexes, and a tetrahedral monomer structure for Co(II)complexes.Semi-empirical methods (PM3,and ZINDO/1)were carried out to evaluate the heat formation( ?H?f)binding energy(?Eb) and dipole moment(µ)for all metal complexes. Also vibration frequencies, Electrostatic potential, HOMO and LUMO
... Show MoreThe new Schiff base, namely (2-Amino-phenylimino)-acetic acid (L) was prepared
from condensation of glyoxylic acid with o-phenylene diamine. The structure (L) was
characterized by, IR,
1
H,
13
C-NMR and CHN analysis. Metal complexes of the ligand (L)
were synthesized and their structures were characterized by Atomic absorption, IR and UV-Visible spectra, molar conductivity, magnetic moment and molar ratio determination (Co
+2
,
Cd
+2
) complexes. All complexes showed octahedral geometries.
The physical behavior for the energy distribution function (EDF) of the reactant particles depending upon the gases (fuel) temperature are completely described by a physical model covering the global formulas controlling the EDF profile. Results about the energy distribution for the reactant system indicate a standard EDF, in which it’s arrive a steady state form shape and intern lead to fix the optimum selected temperature.
This study delves into the design optimization of a hydropower harvesting system, exploring various parameters and their influence on system performance. By modifying the variables within the model to suit different flow conditions, a judiciously optimized design is attainable. Notably, the lift force generated is found to be intricately linked to the strategic interplay of the bluff body's location, cylinder dimensions, and flow velocity. The findings culminate in the establishment of empirical equations, one for lift force and another for displacement, based on the force equation. Many energy harvesting approaches hinge on the reciprocating motion inherent to the structural system. The methodology developed in this study emerges as a pot
... Show MoreIn this work, the possibility of utilizing osmosis phenomenon to produce energy as a type of the renewable energy using Thin Film Composite Ultra Low Pressure membrane TFC-ULP was studied. Where by forward osmosis water passes through the membrane toward the concentrated brine solution, this will lead to raise the head of the high brine solution. This developed static head may be used to produce energy. The aim of the present work is to study the static head developed and the flux on the high brine water solution side when using forward and reverse osmosis membranes for an initial concentration range from 35-300 g/l for each type of membrane used at room temperature and pressure conditions, and finally calculating the maximum possible po
... Show MoreIn this work , we applied the nuclear shell model by using Modified Surface Delta Interaction ( MSDI ) to study the nuclear structure for Ti42-44 nuclei from the calculation of the energy level values and its total angular momentum . After comperation with the experiment values which found to be rather in good agreement and determined the total angular momentum values of energy levels which are not assigned experimently , as soon as , we certify some values that were not certained experimently .
The charge density distributions (CDD) and the elastic electron scattering form factors, F(q), of the ground state for some 1f-2p shell nuclei, such as 74Ge, 76Ge, 78Se and 80Se nuclei have been calculated based on the use of occupation numbers of the states and the single particle wave functions of the harmonic oscillator potential with size parameters chosen to reproduce the observed root mean square charge radii for all considered nuclei. It is found that introducing additional parameters, namely β1 and β2 which reflect the difference of the occupation numbers of the states from the prediction of the simple shell model leads to a remarkable agreement between the calculated and experimental results of the charge density distributions
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