Probing the effects of thermal treatment on the electronic structure and mechanical properties of Ti-doped ITO thin films
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The acrylic polymer composites in this study are made up of various weight ratios of cement or silica nanoparticles (1, 3, 5, and 10 wt%) using the casting method. The effects of doping ratio/type on mechanical, dielectric, thermal, and hydrophobic properties were investigated. Acrylic polymer composites containing 5 wt% cement or silica nanoparticles had the lowest abrasion wear rates and the highest shore-D hardness and impact strength. The increase in the inclusion of cement or silica nanoparticles enhanced surface roughness, water contact angle (WCA), and thermal insulation. Acrylic/cement composites demonstrated higher mechanical, electrical, and thermal insulation properties than acrylic/silica composites because of their lowe
... Show MoreIn this work, As60Cu40-xSex thin films were synthesized, and the pulsed laser deposition method was used to study the effected partial replacement of copper with selenium. The electrical characteristics and optical characteristics, as indicated by the absorbance and transmittance as a function of wavelength were calculated. Additionally, the energy gap was computed. The electrical conductivity of the DC in the various conduction zones was calculated by measuring the current and voltage as a function of temperature. Additionally, the mathematical equations are used to compute the energy constants, electron hopping distance, tail width, pre-exponential factor, and density of the energy states in variation zones (densities of the energ
... Show MoreAb – 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 str
... Show MoreIn this study, Cobalt Oxide nanostructure was successfully prepared using the chemical spray pyrolysis technique. The cobalt oxide phase was analysed by X-ray Diffraction (XRD) and proved the preparation of two cobalt oxide phases which are Co3O4 and CoO phases. The surface morphology was characterized by Scanning Electron Microscope (SEM) images showing the topography of the sample with grain size smaller than 100 nm. The optical behavior of the prepared material was studied by UV-Vis spectrophotometer. The band gap varied as 1.9 eV and 2.6 eV for Co3O4 prepared from cobalt sulphate precursor, 2.03 eV and 4.04 eV for Co3O4 prepared from cobalt nitrate precursor, 2.04 eV and 4.01 eV for CoO prepared from cobalt chloride precursor where th
... Show MoreThe Ge0.4Te0.6 alloy has been prepared. Thin films of Ge0.4Te0.6 has been prepared via a thermal evaporation method with 4000A thickness, and rate of deposition (4.2) A/sec at pressure 2x10-6 Torr. The A.C electrical conductivity of a-Ge0.4Te0.6 thin films has been studied as a function of frequency for annealing temperature within the range (423-623) K, the deduced exponent s values, was found to decrease with increasing of annealing temperature through the frequency of the range (102-106) Hz. It was found that, the correlated barrier hopping (CBH) is the dominant conduction mechanism. Values of dielectric constant ε1 and dielectric loss ε2 were found to decrease with frequency and increase with temperature. The activation energies have
... Show More(NiO) 1-x (ZnO) x compounds were prepared with different composition ratios. The compounds were obtained by mixing Nickle oxide and zinc oxide in the appropriate ratio and sintered at 1000°C for six hours. Pulsed laser deposition (PLD) method which is simple and inexpensive method was used to deposit (NiO) 1-x (ZnO) x thin films on glass substrate at ambient temperature. Structural, optical and properties were investigated. The structures investigation obtained from x-ray diffraction showed that the prepared of compound as well as thin films have polycrystalline structure where the diffraction peaks w
Density Functional Theory at the generalized-gradient approximation level coupled with large unit cell method is used to simulate the electronic structure of (II-VI) zinc-blende cadmium sulfide nanocrystals that have dimensions 2-2.5 nm. The calculated properties include lattice constant, conduction and valence bands width, energy of the highest occupied orbital, energy of the lowest unoccupied orbital, energy gap, density of states etc. Results show that lattice constant and energy gap converge to definite values. However, highest occupied orbital, lowest unoccupied orbital fluctuates indefinitely depending on the shape of the nanocrystal.
The electronic properties (such as energy gap HOMO levels. LUMO levels, density of state and density of bonds in addition to spectroscopic properties like IR spectra, Raman spectra, force constant and reduced masses as a function of frequency) of coronene C24 and reduced graphene oxide C24OX , where x=1-5, were studied.. The methodology employed was Density Functional Theory (DFT) with Hybrid function B3LYP and 6-311G** basis sets. The energy gap was calculated for C24 to be 3.5 eV and for C24Ox was from 0.89 to 1.6862 eV for x=1-5 ,respectively. These energy gaps values are comparable to the measured gap of Graphene (1-2.2 eV). The spectroscopic properties were compared with experimental measurements, specificall
... Show MoreBuilding natural period, T, is a key character in building response for wind and seismic induced forces. In design practice, the period, T, is either estimated from empirical relations proposed by the design codes or determined from analytical or numerical models. The effect of the soil-structure interaction is usually neglected in the design practice and analysis models. This paper uses a sophisticated finite element simulation to investigate the effect of soil-structure modeling on the fundamental period of RC buildings subjected to wind and seismic induced forces. A typical interior building frame has been imitated using the frame element for beams and columns with constrains to mo