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Electronic and optical properties of nickel-doped ceria: A computational modelling study
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Cerium oxide (CeO2), or ceria, has gained increasing interest owing to its excellent catalytic applications. Under the framework of density functional theory (DFT), this contribution demonstrates the eect that introducing the element nickel (Ni) into the ceria lattice has on its electronic, structural, and optical characteristics. Electronic density of states (DOSs) analysis shows that Ni integration leads to a shrinkage of Ce 4f states and improvement of Ni 3d states in the bottom of the conduction band. Furthermore, the calculated optical absorption spectra of an Ni-doped CeO2 system shifts towards longer visible light and infrared regions. Results indicate that Ni-doping a CeO2 system would result in a decrease of the band gap. Finally, Mulliken's charge transfer of the Ce1􀀀xNixO2 system exhibits an ionic bond between Ce or Ni and O, and covalent bonds between Ce and Ni atoms. The analysis of absorption spectra demonstrates that Ni-doped CeO2 is a material with potential use in photocatalytic, photovoltaic, and solar panels.

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Publication Date
Mon Jun 27 2022
Journal Name
Sustainability
Thermal Properties of Hydrated Lime-Modified Asphalt Concrete and Modelling Evaluation for Their Effect on the Constructed Pavements in Service
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Flexible pavements are subjected to three main distress types: fatigue crack, thermal crack, and permanent deformation. Under severe climate conditions, thermal cracking particularly contributes largely to a considerable scale of premature deterioration of pavement infrastructure worldwide. This challenge is especially relevant for Europe, as weather conditions vary significantly throughout the year. Hydrated lime (HL) has been recognized as an effective additive to improve the mechanical properties of asphalt concrete for pavement applications. Previous research has found that a replacement of conventional limestone dust filler using hydrated lime at 2.5% of the total weight of aggregates generated an optimum improvement in the mec

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Publication Date
Tue Nov 30 2021
Journal Name
Iraqi Journal Of Science
Structural and Optical Properties of Annealed TiO2 Powder Synthesized by Hydrothermal Method
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Titanium dioxide (TiO2) Nano powder has been synthesized by hydrothermal method. The reaction took place between titanium tetrachloride (TiCI4) and mixture solution consisted of deionized water and ethanol, in the ratio (3:7) respectively. Structure and surface morphology of TiO2 Nano powder at different annealing temperatures in the range 200-800°C for 120 min were characterized by X-ray diffraction (XRD), Atomic Force Microscope (AFM), Scanning Electron Microscopy (SEM), FT-IR and UV/visible spectroscopy measurements. The results show that with an increase in annealing temperature, the value of the intensity of (110) peak for rutile phase increases while the value of the full-width at half maximum (FWHM) decreases, and the band gap de

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Publication Date
Thu May 25 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Optical and Structural Properties of SnO2 Thin Films Prepared by Sputtering Method
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SnO2 thin films of different two thicknesses were prepared an glass substrate by DC magnetron sputtering. The crystal structure and orientation of the films were investigated by XRD patterns. All the deposited films are polycrystalline. The grain size was calculated as 25.35, 28.8 nm. Morphological and compositions of the films were performed by SEM and EDX analyses respectively. The films appeared compact and rougher surface in nature. The allowed direct band gap was evaluated as 3.85 eV, and other optical constants such as refractive index, extinction coefficient, real and imaginary parts of dielectric constants were determined from transmittance spectrum in the wavelength range (300-900) nm and also analyzed.
 

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Publication Date
Sat Jan 30 2021
Journal Name
Iraqi Journal Of Science
Optical and Structural Properties of Prepared Polyaniline – Graphene (PANI/GN) Nanocomposite
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Polyaniline (PANI) polymer was successfully prepared by the chemical oxidation method at 0 oC. Polyaniline-nano grapheme (GN) powder nanocomposites were prepared by the addition of GN with different weight ratios (0.1, 1, 5, and 10 g wt. %) during the polymerization of PANI. It was found that the polymerization reaction of poly-aniline was exothermic.  The effect of adding nano-graphene powder during polymerization process on the time and temperature of the reaction was studied. The resulting polymer was diagnosed using several methods, including Fourier transform infrared spectroscopy (FT-IR) and UV-VIS spectrophotometry. The results of FTIR demonstrated a shift to higher wave numbers in the peaks of nanocomposites, due

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Publication Date
Fri Nov 01 2019
Journal Name
Journal Of Physics: Conference Series
Data Processing, Storage, and Analysis: Applying Computational Procedures to the Case of a Falling Weight Deflectomer (FWD)
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In the field of civil engineering, the adoption and use of Falling Weight Deflectometers (FWDs) is seen as a response to the ever changing and technology-driven world. Specifically, FWDs refer to devices that aid in evaluating the physical properties of a pavement. This paper has assessed the concepts of data processing, storage, and analysis via FWDs. The device has been found to play an important role in enabling the operators and field practitioners to understand vertical deflection responses upon subjecting pavements to impulse loads. In turn, the resultant data and its analysis outcomes lead to the backcalculation of the state of stiffness, with initial analyses of the deflection bowl occurring in conjunction with the measured or assum

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Publication Date
Thu Nov 30 2023
Journal Name
Iraqi Journal Of Science
Study of Optical, Structural and Morphology Properties of Tin Oxide Nanoparticles by Pulse Laser Ablation and its Effect on Bacteria Staphylococcus aureus
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     Tin oxide (Sn) nanoparticles were prepared by pulsed laser ablation (PLA) method at different laser energies (400-700mJ). (UV, XRD, AFM, SEM, EDS) methods were employed to determine the properties of nanomaterials. The optical properties showed that the energy gap decreased with increasing laser power; the structural properties showed the relationship between density and angle; Miller's coefficients for net angles were determined and the morphology properties showed the element's surface shape and surface roughness. Also, Tin oxide nanoparticles with added to Staphylococcus aureus bacteria isolated from the ear and cultured by striking method on nutrient agar to know the effect of tin oxide nanoparticles on the growth o

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Publication Date
Mon Mar 11 2019
Journal Name
Baghdad Science Journal
A Spectral, Optical, Microscopic Study, Synthesis and Characterization of PVC Films Containing Schiff Base Complexes
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In this work, synthesis of conducting polymeric films namely, PVC thin films was carried out containing Schiff base (L) with Cu2+, Cr3+, Ni2+, Co2+, in addition to inspecting the possibilities of measuring energy gap values of PVC-L-M with variety metal ions. These new polymeric films (PVC-L-M) were characterized by FTIR spectrophotometry, energy gap and surface morphology. The optical data recorded that the band gap values are influenced by the type of metals. All modified films have a red shift in optical properties in the ultraviolet region. The PVC-L-Co(II) was the lowest value of the optical band gap, 3.1 eV.

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Publication Date
Sun Nov 10 2019
Journal Name
Journal Of Engineering And Applied Sciences
Fabrication and Properties of Ag<sub>2</sub>O/Si Heterojunction Solar Cell Pure and Doped (Sb, Sn and Se)
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Publication Date
Tue May 15 2018
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Study of the Influence of Annealing Temperature on the Structural and Optical Properties of ZnTe Prepared by Vacuum Thermal Evaporation Technique
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   The ZnTe alloy was prepared as  deposited thin films on the glass substrates at a thickness of 400±20 nm using vacuum evaporation technique at pressure (1 × 10-5) mbar and room temperature. Then the thin films under vacuum (2 × 10-3 mbar) were annealing at (RT,100 and 300) °C for one hour. The structural properties were studied by using X-ray diffraction and AFM, the results show that the thin films had approached the single crystalline in the direction (111) as preferred orientation of the structure zinc-blende for cubic type, with small peaks of tellurium (Te) element for all prepared thin films. The calculated crystallite size (Cs) decreased with the increase in the anne

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Publication Date
Sun Dec 01 2002
Journal Name
Iraqi Journal Of Physics
Preparation of thin films of SiCN from gas-phase reaction induced by TEA-CO2 laser and study of their optical properties
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In this paper, silicon carbonitried thin films were prepared by the method of photolysis of the silane (SiH4) and ethylene (C2H4) gases, with and without ammonia gas (NH3), which is represented by the ratio between the (PNH3) and (PSiH4 + PC2H4 + PNH3), (which assign by the letter X), X has the values (0, 0.13, 0.33). This method carried out by using TEA-CO2 laser, on glass substrate at (375 oC), deposition rate (0.416-0.833) nm/pulse thin film thickness of (500-1000) nm. The optical properties of the films were studied by using Absorbance and Transmittance spectrums in wavelength range of (400-1100) nm, the results showed that the electronic transitions is indirect and the energy gap for the SiCN films increase with increasing of nitrog

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