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Sensitivity of SnO2 nanoparticles/reduced graphene oxide hybrid to NO2 gas: A DFT study
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Abstract<p>The sensitivity of SnO<sub>2</sub> nanoparticles/reduced graphene oxide hybrid to NO<sub>2</sub> gas is discussed in the present work using density functional theory (DFT). The SnO<sub>2</sub> nanoparticles shapes are taken as pyramids, as proved by experiments. The reduced graphene oxide (rGO) edges have oxygen or oxygen-containing functional groups. However, the upper and lower surfaces of rGO are clean, as expected from the oxide reduction procedure. Results show that SnO<sub>2</sub> particles are connected at the edges of rGO, making a p-n heterojunction with a reduced agglomeration of SnO2 particles and high gas sensitivity. The DFT results are in good agreement with the experimental characterization of both SnO<sub>2</sub> and rGO using energy gap and XPS values. Gibbs free energy, enthalpy, and entropy of the various considered reactions are calculated. Results show that the sensitivity of the rGO/SnO<sub>2 </sub>hybrid to NO<sub>2</sub> gas is the result of the interplay of the dissociation and oxidation reactions of NO<sub>2</sub> gas.</p>
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Publication Date
Wed Mar 18 2020
Journal Name
Baghdad Science Journal
Cr2O3:TiO2 Nanostructure Thin Film Prepared by Pulsed Laser Deposition Technique as NO2 Gas Sensor
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Pulsed laser deposition (PLD) technique was applied to prepared Chromium oxide (Cr2O3) nanostructure doped with Titanium oxide (TiO2) thin films at different concentration ratios 3,5,7 and 9 wt % of TiO2. The effect of TiO2 dopant on the average size of crystallite of the synthesized nanostructures was examined by X-ray diffraction. The morphological properties were discussed using atomic force microscopy(AFM). Observed optical band gap value ranged from 2.68 eV to 2.55 eV by ultraviolet visible(UV-Vis.) absorption spectroscopy with longer wave length shifted  in comparison with that of the bulk Cr2O3 ~3eV. This indicated that the synthesized samples a

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Publication Date
Thu Jul 20 2023
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Study the Effect of Manganese Ion Doping on the Size- Strain of SnO2 nanoparticles Using X-Ray Diffraction Data
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In this study, SnO2 nanoparticles were prepared from cost-low tin chloride (SnCl2.2H2O) and ethanol by adding ammonia solution by the sol-gel method, which is one of the lowest-cost and simplest techniques. The SnO2 nanoparticles were dried in a drying oven at a temperature of 70°C for 7 hours. After that, it burned in an oven at a temperature of 200°C for 24 hours. The structure, material, morphological, and optical properties of the synthesized SnO2 in nanoparticle sizes are studied utilizing X-ray diffraction. The Scherrer expression was used to compute nanoparticle sizes according to X-ray diffraction, and the results needed to be scrutinized more closely. The micro-strain indicates the broadening of diffraction peaks for nano

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Publication Date
Thu Jul 20 2023
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Study the Effect of Manganese Ion Doping on the Size- Strain of SnO2 nanoparticles Using X-Ray Diffraction Data
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In this study, SnO2 nanoparticles were prepared from cost-low tin chloride (SnCl2.2H2O) and ethanol by adding ammonia solution by the sol-gel method, which is one of the lowest-cost and simplest techniques. The SnO2 nanoparticles were dried in a drying oven at a temperature of 70°C for 7 hours. After that, it burned in an oven at a temperature of 200°C for 24 hours. The structure, material, morphological, and optical properties of the synthesized SnO2 in nanoparticle sizes are studied utilizing X-ray diffraction. The Scherrer expression was used to compute nanoparticle sizes according to X-ray diffraction, and the results needed to be scrutinized more closely. The micro-strain indi

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Publication Date
Thu Feb 01 2024
Journal Name
Journal Of Materials Science
Investigations on TiO2–NiO@In2O3 nanocomposite thin films (NCTFs) for gas sensing: synthesis, physical characterization, and detection of NO2 and H2S gas sensors
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Publication Date
Tue Oct 02 2018
Journal Name
Iraqi Journal Of Physics
Gas sensitivity properties of TiO2/Ag nanocomposite films prepared by pulse laser deposition
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In this study, a double frequency Q-switching Nd:YAG laser beam (1064 nm and λ= 532 nm, repetition rate 6 Hz and the pulse duration 10ns) have been used, to deposit TiO2 pure and nanocomposites thin films with noble metal (Ag) at various concentration ratios of (0, 10, 20, 30, 40 and 50 wt.%) on glass and p-Si wafer (111) substrates using Pulse Laser Deposition (PLD) technique. Many growth parameters have been considered to specify the optimum condition, namely substrate temperature (300˚C), oxygen pressure (2.8×10-4 mbar), laser energy (700) mJ and the number of laser shots was 400 pulses with thickness of about 170 nm. The surface morphology of the thin films has been studied by using atomic force microscopes (AFM). The Root Mean Sq

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Publication Date
Mon Jan 01 2024
Journal Name
Iraqi Journal Of Applied Physics
Decoration of Zinc Oxide Nanoparticles with Aluminum Nanoparticles by Explosive Strips Method
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In this study, aluminum nanoparticles (Al NPs) were prepared using explosive strips method in double-distilled deionized water (DDDW), where the effect of five different currents (25, 50, 75, 100 and 125 A) on particle size and distribution was studied. Also, the explosive strips method was used to decorate zinc oxide particles with Al particles, where Al particles were prepared in suspended from zinc oxide with DDDW. Transmission electron microscopy (TEM), UV-visible absorption spectroscopy, and x-ray diffraction are used to characterize the nanoparticles. XRD pattern were examined for three samples of aluminum particles and DDDW prepared with three current values (25, 75 and 125 A) and three samples prepared with the same currents for zin

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Scopus
Publication Date
Sat Feb 01 2020
Journal Name
Egyptian Journal Of Chemistry
Preparation and Characterization of Graphene Oxide – Attapulgite composite and its use in kinetic study of Alizarin Dye Adsorptionfrom Aqueous Media
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ATTAPULGITE clay was modified in this study by the graphene oxide sheets and the clay was diagnosed before and after modification using several techniques (Fourier-transform infrared spectroscopy FT-IR, X-ray powder diffraction XRD, Scanning electron microscope SEM , energy dispersive spectroscopy EDX ) ,The surface of the attapulgite clay (before (Ata) after modification by graphene oxide (Ata-GO) ) was applied to adsorption of the Alizarin dye from its water solutions through the application of several kinetic models (pseudo first-order model , pseudo second -order model , intraparticle diffusion model ),It was found that the practical results follow pseudo second -order model. The process of modification on the surface of the mud has imp

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Publication Date
Sat Apr 01 2023
Journal Name
Chemical Methodologies
A Novel Design for Gas Sensor of Zinc Oxide Nanostructure Prepared by Hydrothermal Annealing Technique
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Scopus (7)
Scopus
Publication Date
Wed Jun 01 2022
Journal Name
Iraqi Journal Of Physics
Enhanced Mechanical Property of Acrylic Polymer/Graphene/Carbon Fibers Hybrid for Water Proof Coating
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In this work, some mechanical properties of the polymer coating were improved by preparing a hybrid system containing Graphene (GR) of different weight percentages (0.25, 0.5, 1, and 2wt%) with 5wt% carbon fibres (CF) and added to a polymer coating by using casting method. The properties were improved as GR was added with further improvement on adding 5wt% of CF. The impact strength of acrylic polymer with GR increases with increasing weight ratio‏‏ of GR; maximum value was obtained when the polymer coating was incorporated with 1wt% GR and 5wt% CF. The impact strength of acrylic polymer with GR and GR/CF composites incorporated with GR at 1wt% and CF at 5wt%. Hardness increase with increasing weight ratio of Gr and a significant imp

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Publication Date
Wed May 01 2019
Journal Name
Iraqi Journal Of Science
Investigation of Nanostructured and Gas Sensing of Tin Dioxide (Sno2) Films Prepared by Oxidation of Sn
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Nanostructured tin dioxide (SnO2) thin films were prepared by thermal oxidation of Sn, which were ground and embedded in methanol then it was deposited on a glass substrate utilizing casting method. The deposited films were examined for their morphology, and crystal structure by transmission electron microscopy (TEM) scanning electron microscopy (SEM), and X-ray diffraction (XRD) technique. In most cases, it was found that SnO2 thin films had a tetragonal phase, predominantly grown on preferred (110) and (200) planes. The deposited thin films have grain size was about 82 nm. The sensing properties of SnO2against NO2 gas were studied as a function of working temperature and time under optimal co

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