This contribution investigates the effect of the addition of the Hubbard U parameter on the electronic structural and mechanical properties of cubic (C-type) lanthanide sesquioxides (Ln2O3). Calculated Bader's charges confirm the ionic character of Lnsingle bondO bonds in the C-type Ln2O3. Estimated structural parameters (i.e., lattice constants) coincide with analogous experimental values. The calculated band gaps energies at the Ueff of 5 eV for these compounds exhibit a non-metallic character and Ueff of 6.5 eV reproduces the analogous experimental band gap of cerium sesquioxide Ce2O3. We have thoroughly investigated the effect of the O/Ce ratios and the effect of hafnium (Hf) and zirconium (Zr) dopants on the reduction energies of CeOx configurations. Our analysis for the reduction energy of CeO2, over a wide range of temperatures displays that, shuffling between the two +4 and +3 oxidation states of Ce exhibit a temperature-independent behaviour. Higher O/Ce ratios necessitate lower reduction energies. Our results on Cesingle bondHfsingle bondZrsingle bondO alloys are in reasonable agreements with analogous fitted values pertinent to lowering reduction energies and shrinkage in lattice parameters when contrasted with pure CeO2. Structural analysis reveals that Hf and Zr atoms in the solid solution are shifted towards the nearest vacancies upon reduction. It is hoped that values provided herein to shed an atomic-base insight into the reduction/oxidation thermodynamics of increasingly deployed catalysts for environmental applications.
In this work, the effects of solvent properties on the characteristics of absorption and fluorescence for two laser dyes was studied. Dyes used in this work include Coumarin 5400 and DCM, while the solvents include ethanol, methanol, acetone, propanol and chloroform. Coumarin 5400 dye shows sharp fluorescence peaks in the green band of visible region while the DCM dye shows relatively wide band within 590-630 nm. Therefore, the selection of any dye for random gain medium applications should be performed after determining the most appropriate solvent as the optimum fluorescence characteristics are obtained.
This study investigates the influence of silver oxide (Ag₂O) nanoparticles on the gas-sensing properties of carbon nanotube (CNT) and poly(3-hexylthiophene) (P3HT) composite films. The goal is to enhance the sensitivity and stability of CNT/P3HT-based gas sensors for nitrogen dioxide (NO₂) detection. CNTs and P3HT are composited at various mass ratios, followed by integrating Ag₂O nanoparticles to improve gas interaction and electronic properties. Structural and morphological analyses, including x-ray diffraction, Fourier transform infrared spectroscopy, field emission scanning electron microscopy, and energy dispersive x-ray spectroscopy, ascertain the successful incorporation of Ag₂O into the composites and reveal its role in impr
... Show MoreThin films of ZnSe arc deposited on glass substrates by thermal evaporation in vacuum with different thickness (1000, 2700, 4000) A° temperature (293-373) °K are studies the electrical properties before and after annealing. The result show decrease D.0 conductivity and increasing the activation energy Eat.
Present study was conducted in order to assess Slabiaat water quality by measuring some physical and chemical factors of river water, the study included a choice of three stations along of Slabiaat River in Samawa city, water samples collected a monthly during the period from September 2013 August 2014. The study involved measuring the Air & water temperatures, pH, Electrical conductivity, Total dissolved solids, Dissolved oxygen, Total hardness, calcium hardness, magnesium, turbidity, and some types of bacteria in River water. The study results showed that the values of air & water temperatures have ranged between (20.1-36.6)?C , (10-21.8) in Slabiaat River, respectively . pH values ranged between (6.6-8.7). Electrical conductivity in
... Show MoreIn this work, the effect of anodizing duration on the morphology and photoelectrochemical properties of TiO2 nanotubes arrays (NTAs) has been investigated The samples were characterized by X-ray diffraction (XRD) and energy dispersive X-ray (EDX) to characterize their crystalline structure and compositional. Surface morphological and their dimensional variation was examined by field emission scanning electron microscopy (FESEM). The anodizing duration played a significant role in the formation of TiO2 nanotubes arrays. Moreover, the photoelectrochemical properties (PEC) were studied through photocurrent measurements. Optimum anodizing duration of 60 min at 40 V exhibited maximum photocurrent of 0.03 mA cm-2 under illumination of hal
... Show MoreThe pure and Sb doped GeSe thin films have been prepared by thermal flash evaporation technique. Both the structural and optical measurement were carried out for as deposited and annealed films at different annealing temperatures.XRD spectra revealed that the all films have one significant broad amorphous peak except for pure GeSe thin film which annealed at 573 K, it has sharp peak belong to orthorhombic structure nearly at 2θ=33o. The results of the optical studies showed that the optical transition is direct and indirect allowed. The energy gap in general increased with increasing annealing temperature and decreased with increase the ratio of Sb dopant. The optical parameters such as refractive index, extinction coefficient and real and
... Show MoreThe present work involves studying the effect of electrolyte composition [@1= 0.5 wt.% NH4F / 5% H2O / 5% Glycerol (GLY)/ 90% Ethylene Glycol (EG)] and [ @2= 0.5 wt. % NH4F / 5% H2O / 95% Ethylene Glycol (EG)] on the structural and photoelectrochemical properties of titania nanotubes arrays (TNTAs). TNTAs substrates were successfully carried out via anodization technique and were carried out in 40 V for one hour in different electrolytes (@1, and @2). The properties of physicochemical of TNTAs were distinguished via an X-ray Diffractometer (XRD), Field Emission Scanning Electron Microscope (FESEM), an Energy Dispersive X-ray (EDX), and UV–visible diffuse reflectance. The photoelectrochemical response of TNTAs was evaluated
... Show MoreThe present work involves studying the effect of electrolyte composition [@1= 0.5 wt.% NH4F / 5% H2O / 5% Glycerol (GLY)/ 90% Ethylene Glycol (EG)] and [ @2= 0.5 wt. % NH4F / 5% H2O / 95% Ethylene Glycol (EG)] on the structural and photoelectrochemical properties of titania nanotubes arrays (TNTAs). TNTAs substrates were successfully carried out via anodization technique and were carried out in 40 V for one hour in different electrolytes (@1, and @2). The properties of physicochemical of TNTAs were distinguished via an X-ray Diffractometer (XRD), Field Emission Scanning Electron Microscope (FESEM), an Energy Dispersive X-ray (EDX), and UV–visible diffuse reflectance. T
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