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, a novel design for the NiO/TiO2 heterojunction solar cells is presented. Highly-pure nanopowders prepared by dc reactive magnetron sputtering technique were used to form the heterojunctions. The electrical characteristics of the proposed design were compared to those of a conventional thin film heterojunction design prepared by the same technique. A higher efficiency of 300% was achieved by the proposed design. This attempt can be considered as the first to fabricate solar cells from highly-pure nanopowders of two different semiconductors.
The syntheses, characterizations and structures of three novel dichloro(bis{2-[1-(4-methoxyphenyl)-1H-1,2,3-triazol-4-yl-κN3]pyridine-κN})metal(II), [M(L)2Cl2], complexes (metal = Mn, Co and Ni) are presented. In the solid state the molecules are arranged in infinite hydrogen-bonded 3D supramolecular structures, further stabilized by weak intermolecular π…π interactions. The DFT results for all the different spin states and isomers of dichloro(bis{2-[1-phenyl-1H-1,2,3-triazol-4-yl-κN3]pyridine-κN})metal(II) complexes, [M(L1)2Cl2], support experimental measurements, namely that (i) d5 [Mn(L1)2Cl2] is high spin with S = 5/2; (ii) d7 [Co(L1)2Cl2] has a spin state of S = 3/2, (iii) d8 [Ni(L1)2Cl2] has a spin state of S =
... Show MoreThe purpose of the current work was to evaluate the effect of Radiation of Gamma on the superconducting characteristics of the compound PbBr2Ca1.9Sb0.1Cu3O8+δ utilizing a 137Cs source at doses of 10, 15, and 20MRad. Solid state reaction technology was used to prepare the samples. Before and after irradiation, X-ray diffraction (XRD) and superconductor properties were examined. Results indicated that the tetragonal structure of our chemical corresponds to the Pb-1223 phase with an increase in the ratio c/a as a result of gamma irradiation. (Tc (onset) ) and on set temperature Tc (offset)) were also dropping from 113 to the 85.6 K and 129.5 to 97 K, respectively, for a transition temperatu
A newly flow injection-turbidimetric method characterized by it is speed and sensitivity has been developed for the determination of Amiloride in pure and pharmaceutical preparations. It is based on the formation of yellowish white precipitate for the Amiloride-phosphomolybidic acid ion pair in aqueous medium. Turbidity was measured by Ayah 6Sx1-T-1D solar cell CFI analyser via the attenuation of incident light from the surfaces precipitated particles at 0-180. The Chemical and physical parameters were investigated. Linear dynamic range for the attenuation of incident light versus Amiloride concentration was of 0.005-10 mmol.L-1, with the correlation coefficient (r) of 0.9986 , while the percentage linearity (r2%) was 99.71%. The L.O.
... Show MoreA newly flow injection-turbidimetric method characterized by it is speed and sensitivity has been developed for the determination of Amiloride in pure and pharmaceutical preparations. It is based on the formation of yellowish white precipitate for the Amiloride-phosphomolybidic acid ion pair in aqueous medium. Turbidity was measured by Ayah 6Sx1-T-1D solar cell CFI analyser via the attenuation of incident light from the surfaces precipitated particles at 0-180. The Chemical and physical parameters were investigated. Linear dynamic range for the attenuation of incident light versus Amiloride concentration was of 0.005-10 mmol.L-1, with the correlation coefficient (r) of 0.9986 , while the percentage linearity (r2%) was 99.71%. The L.O.
... Show MoreA new, simple, accurate, fast and sensitive spectrophotometric method has been developed for the analysis of amiloride in pure and pharmaceutical formulations by continuous flow injection analysis. The method was based on the oxidation of the drug with Ce(IV)sulfate in acidic medium to formed a pinkish-red color species which determined using homemade Ayah 3SBGR x3-3D solar cell flow injection photometer. Optimum conditions were obtained using a high intensity green light emitted diode as a source. The linear dynamic range for the instrument response versus amiloride concentration was 0.0005- 10 mmol.L-1 while the L.O.D was of 9.471 ng / sample. The correlation coefficient (r) was 0.9824 while percentage linearity (r2%) was 96.50%. RSD%
... Show MoreThis study focused on the expression and regulation of BRCA1 in breast cancer cell lines compared to normal breast. BRCA1 transcript levels were assessed by real time quantitative polymerase chain reaction (RT-qPCR) in the cancer cell lines. Our data show overexpression of BRCA1 mRNA level in all the studied breast cancer cell lines: MCF-7, T47D, MDA-MB-231 and MDA-MB-468 along with Jurkat, leukemia T-lymphocyte, the positive control, relative to normal breast tissue. To investigate whether a positive or negative correlation exists between BRCA1 and the transcription factor E2F6, three different si-RNA specific for E2F6 were used to transfect the normal and cancerous breast cell lines. Interestingly, strong negative relationship was found b
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