The present work shows a theoretical results that have been used the functional Hybrid of three parameters Lee-Yang-Parr (B3LYP) of the quantum mechanical approach for density functional theory with (Spanish Initiative for Electronic Simulations with Thousands of Atoms) SIESTA code. All calculations were carried out employing the used method at the Gaussian 09 package of programs. It was reported the main point for research on dominance of the bandgap of elongated pi-conjugated molecules by using different chemical groups replacing hydrogen atom in the most molecules that used in this work. The side groups creates another factor that controls the value of the band gap. The dihedral angle between the two phenyl rings plays more important role in controlling the band gap in these molecules.
In this work, study the optical properties of composites consisting of poly Methyl Methacrylate and Berry Paper Mulberry. The samples of composites were prepared using casting method .The Berry Paper Mulberry (BPM) was added by different concentrations are (0, 2, 4 and 6)wt.%. The optical properties of composites have been studied in the wavelength range (200-800)nm. The absorption coefficient ,energy gap, refractive index, extinction coefficient and dielectric constants have been determined. The results show that the optical constants change with increase of BPM concentrations .
The structural, optical properties of cupper indium gallium selenite (CuIn1-xGaxSe) have been studied. CuIn1-xGaxSe thin films for x=0.6 have been prepared by thermal evaporation technique, of 2000±20 nm thickness, with rate of deposition 2±0.1 nm/sec, on glass substrate at room temperature. Heat treatment has been carried out in the range (373-773) K for 1 hour. It demonstrated from the XRD method that all the as-deposited and annealed films have polycrystalline structure of multiphase. The optical measurement of the CIGS thin films conformed that they have, direct allowed energy gap equal to 1.7 eV. The values of some important optical parameters of the studied films such as (absorption coefficient, refractive index, extinction coeffici
... Show MoreThe effect of thermal annealing on some structural and optical properties of ZnSe thin films was studied which prepared by thermal evaporation method with (550±20) nm thickness and annealing at (373,473)K for (2h), By using X-ray diffraction technique structural properties studied and showed that the films are crystalline nature and have ( cubic structure ) .From the observed results after heating treatment, We found that the annealing to perform decreases in grain size and increases in dislocation and observed the optical properties increase in absorption and decrease in transmission. From absorption spectra optical energy gap calculated about (2.66,2.68)eV which decreases value after heating treatment
In this research we prepared PbS thin films with vacuum thermo evaporation process and chemical spray pyrolysis. Structure properties were studied for PbS thin films through (XRD) measurement. PbS thin films growth appear as Polycrystalline cubic and sharp peak with directional (200) then calculated Lattice constant (a) and the values are (5.9358)Ã… for (PbS) films prepared by thermo evaporation , (2.978-5.969 Ã…) for films prepared by chemical spray pyrolysis at temperature degree (553K , 573K) sequence .Then it was found that the grain size for (PbS) thin films prepared by thermo evaporation is (335.81)Ã… while the grai
... Show MoreIn this work we prepared some schiff bases by condensation urea and benzaldehyde or its derevative ( bromo benzaldehyde or hydroxy benzaldehyde ) as ( 1 : 1 ) mole ( urea : benzaldehyde or its substitution ) to prepare compounds ( A1 , B1 , C1 , D1 , E1 , F1 , G1 ) and ( 1 : 2 ) mole ( urea : benzaldehyde or its substitution ) to prepare compounds ( A2 , B2 , C2 , D2 , E1 , F2 , G2 ) . The prepared compounds identified spectroscopic by infrared spectroscopy FT-IR and Thin layer chromotography T.L.C . The force constant calculated from the wave number for the carbonyl stretching from FT-IR chart and by using the following equation K = 4?2C2?'2? The change in double bond order for carbonyl deteremined in according with some past re
... Show MoreIn the current research, we investigated the absorption spectrum for R590 and C480 dyes in ethanol solvent for different dye solution concentrations of 10-4, 10-5 and 10-6M. These dyes have been prepared and studied before and after gamma irradiation (first, second ionization) using cesium-137 source with absorbed doses of 18.36 Gy (time exposure of 10 days) and 73.44 Gy (with time exposure of 40 days). We noticed that the absorption intensity was decreased with decreasing concentration, before gamma irradiation while the absorption spectrum peak shifted towards the short wavelength (blue shift). It was also found that the intensity of absorption spectrum increased and shifted the absorption spectrum peak towards the long wavelength (red
... Show MoreThe Films of CdTe:Zn were prepared on a glass by using vacuum vapor deposition technique .The x-ray diffraction pattern revealed that the films have polycrystalline with FCC structure and the preferred orientation was along (111) plane. The films were exposed to a low dose of gamma ray.(5µCi for 30 days) Transmission and absorptance spectra were recorded in the range of (400-1100) nm before and after irradiation. It was found that irradiation has a clear effect on the optical and structural properties which include the transmition and absorption spectra, extinction coefficient, refractive index, and the energy gap.
The preferable design for unsaturated symmetrical spherical
double-pole piece electron lens required good focal properties, and in this present study investigate effect of air gap wide (S) on the properties of the projector lens specialized the minimum projector
focal length 1Fr) . and the properties of the axial magnetic field
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distribution:(the maximum
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