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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 Jan 01 2020
Journal Name
International Conference Of Numerical Analysis And Applied Mathematics Icnaam 2019
Functionalized multi-walled carbon nanotubes network sensor for NO2 gas detection at room temperature
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Publication Date
Wed Jun 01 2022
Journal Name
Baghdad Science Journal
Assessment of Air Pollution around Durra Refinery (Baghdad) from Emission NO2 Gas at April Month
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Nitrogen dioxide NO2 is one of the most dangerous contaminant in the air, its toxic gas that cause disturbing respiratory effects, most of it emitted from industrial sources especially from the stack of power plants and oil refineries. In this study Gaussian equations modelled by Matlab program to state the effect of pollutant NO2 gas on area around Durra refinery, this program also evaluate some elements such as wind and stability and its effect on stacks height. Data used in this study is the amount of fuel oil and fuel gas burn inside refinery at a year 2017. Hourly April month data chosen as a case study because it’s unsteady month. After evaluate emission rate of the all fuel and calculate exit velocity from

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Publication Date
Fri Jun 20 2025
Journal Name
Journal Of Kufa For Chemical Sciences
Biosynthesis of Zirconium Oxide Nanoparticles from Different Plant Extracts: A Review
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Publication Date
Tue Sep 01 2020
Journal Name
International Journal Of Hydrogen Energy
Hydrogen gas sensing based on nanocrystalline SnO2 thin films operating at low temperatures
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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
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
Sat Jan 01 2011
Journal Name
Iraqi Journal Of Physics
Characteristics of Zinc Oxide Film Prepared by Chemical Spray Deposition as a Gas Sensor
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Zinc oxide thin films were deposited by chemical spray pyrolysis onto glass substrates which are held at a temperature of 673 K. Some structural, electrical, optical and gas sensing properties of films were studied. The resistance of ZnO thin film exhibits a change of magnitude as the ambient gas is cycled from air to oxygen and nitrogen dioxide

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Publication Date
Thu Apr 01 2021
Journal Name
Basra Journal Of Science
Preparation and Characterization of Polyvinylpyrrolidone/Multi-walled Carbon Nanotubes Nanocomposite hybrid with Graphene
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In this work, polyvinylpyrrolidone (PVP), Multi-walled carbon nanotubes (MWCNTs) nanocomposite was prepared and hybrid with Graphene (Gr) by casting method. The morphological and optical properties were investigated. Fourier Transformer-Infrared (FT-IR) indicates the presence of primary distinctive peaks belonging to vibration groups that describe the prepared samples. Scanning Electron Microscopy (SEM) images showed a uniform dispersion of graphene within the PVP-MWCNT nanocomposite. The results of the optical study show decrease in the energy gap with increasing MWCNT and graphene concentration. The absorption coefficient spectra indicate the presence of two absorption peaks at 282 and 287 nm attributed to the π-π* electronic tr

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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
Mon Jan 01 2024
Journal Name
2nd International Conference For Engineering Sciences And Information Technology (esit 2022): Esit2022 Conference Proceedings
ZnO nanostructures as low concentration NO2 gas sensor and impact the temperature on sensing properties
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Zinc oxide (ZnO) nanostructures were synthesized through the hydrothermal method at various conditions growth times (6,7 and 8 hrs.) and a growth temperature (70, 90, and 100 ºC). The prepared ZnO nanostructure samples were described using scanning electron microscopy (SEM) and X-ray diffractometer to distinguish their surface morphologies and crystal structures. The ZnO samples were confirmed to have the same crystal type, with different densities and dimensions (diameter and length). The obtained ZnO nanostructures were used to manufacture gas sensors for NO2 gas detection. Sensing characteristics for the fabricated sensor to NO2 gas were examined at different operating temperatures (180, 200, 220, and 240) ºC with a low gas concentrati

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