scholarly journals The effect of particle size on the optical and electronic properties of magnesium oxide nanoparticles

2021 ◽  
Vol 23 (38) ◽  
pp. 21579-21590
Author(s):  
Martijn A. Zwijnenburg

We use evGW/BSE calculations to demonstrate that the optical and electronic properties of MgO nanoparticles are governed by the low-coordinated atoms on their surfaces.

2020 ◽  
Vol 6 (2) ◽  
pp. 103-107 ◽  
Author(s):  
Seyyed Mohammad Javadi

Background: Rubber vulcanization is a consolidated chemical process to enhance the mechanical properties of the polymeric material by sulfur crosslinking of the polymer chains, such as rubber. Vulcanization Activators are important rubber processing additives that activate sulfur cure and improve the efficiency of sulfur-based cure systems. The most common activator is zinc fatty acid ester that is often formed in-situ by the reaction of fatty acid with zinc oxide. Although zinc is one of the less harmful heavy metals, according to European Council Directive 2004/73/EC, the reduction of zinc level in the environment has become an important task because of its toxic effect on aquatic organisms. : The current study reviews the research achievements in the field of reducing the consumption of micronutrients of ZnO particles based on the use of nanoparticles instead of them in the polymer industry. Among the proposed methods, due to the less environmental effects of magnesium oxide, the use of MgO nanoparticles instead of zinc oxide has also achieved good results. Objective: The aim of this paper is considering suggested different methods on the reduction of using ZnO particles in related industries, the use of ZnO nanoparticles has had better results than its particles. In addition, due to the less environmental effects of magnesium oxide, magnesium oxide nanoparticles can be used instead of micronutrients of zinc oxide. Overall, the results of various investigations show that reducing the diameter of the zinc oxide particles reduces the amount required for curing the rubber and thus reduces its toxic effects. Also, the use of magnesium oxide nanoparticles instead of zinc oxide in different concentrations is investigated.


2019 ◽  
Vol 7 (26) ◽  
pp. 4141-4152 ◽  
Author(s):  
Proma Bhattacharya ◽  
Sarpras Swain ◽  
Lopamudra Giri ◽  
Sudarsan Neogi

MgO nanoparticles are synthesized using water, ethanol and aqueous CTAB solution. The nanoparticles synthesized in ethanol exhibited smallest size, maximum reactive oxygen species generation and maximum antibacterial ability, and low haemolysis.


2021 ◽  
Vol 2021 ◽  
pp. 1-22
Author(s):  
Archana Venkatachalam ◽  
Joseph Prince Jesuraj ◽  
kalainathan Sivaperuman

The magnesium oxide nanoparticles (MgO NPs) were prepared from Moringa oleifera leaf extract. Phytochemicals are derived from plant extract which are served as stabilizing and capping agents. This green route has been attracted owing to speed, reliable, and eco-friendly and cost-effective one. The synthesized magnesium oxide nanoparticles were taken into three different calcination temperatures (500, 600, and 700°C). The powder X-ray diffraction (PXRD) study shows a pure phase of face-centered cubic structure. Periclase MgO nanoparticles were prepared. The optical band gap of MgO nanoparticles is 4.5 eV, and its absorption in the UV region was observed by UV-visible spectroscopy (UV-Vis). Photoluminescence spectra have exhibited multicolor emissions were being at UV and visible region due to defect centers (F centers) of MgO nanoparticles. EDX (energy dispersive X-ray spectrum) has given the stoichiometric ratio of Mg and O. The functional groups have been studied by Fourier transformed infrared spectroscopy (FTIR), surface morphology transformation has been identified by scanning electron microscopy (SEM) studies, and VSM measurements have given the information of diamagnetic nature of MgO nanoparticles. H-R TEM micrographs have confirmed that particles were in nanorange matched with XRD report. Polycrystalline nature has been observed pattern information. TG-DSC characterization revealed phase transition and weight loss information. D-band and G-band of MgO nanoparticles are studied by micro-Raman analysis. Dielectric analysis has proven that MgO nanoparticles will be a promising candidate for linear dielectric ceramics, thermistor. The present resent studies have revealed that MgO powder will be an economical and promising candidate in superconductor, optoelectronic device, and energy storage applications.


2020 ◽  
Vol 3 (3) ◽  
Author(s):  
Jegadeeswari A ◽  
Nivetha S

Magnesium oxide was hygroscopic solid mineral that occurs naturally as periclase.Magnesium oxide had high thermal conductivity; it gets heated when the electricity was passed through it. Magnesia crucible had a stability of 2400°C in air, 1700°C in reducing atmosphere. Magnesium oxide nanoparticles were obtained from the mixture of magnesium nitrate as precursor and sodium hydroxide as precipitating agent by sol-gel method. Finally,the resultant white crystalline powder of MgO was annealed at various temperatures of 80°C, 135°C and 180°C. The analytical studies (XRD, SEM FTIR, EDAX) reveals the morphological characterization of MgO nanoparticles. The Scanning Electron Microscopy (SEM) indicates the structures of MgO nanoparticles. The crystal size of MgO nanoparticles was obtained by X-Ray Diffraction (XRD). The optical properties of the sample were obtained by UV- Visible spectroscopy. Fourier Transform infrared spectroscopy indicates powdered composition of the sample. EDAX indicates elementary composition of the MgO nanoparticles.


2013 ◽  
Vol 678 ◽  
pp. 297-300 ◽  
Author(s):  
Joghee Suresh ◽  
Raja Gopal Rajiv Gandhi ◽  
Samayanan Selvam ◽  
Mahalingam Sundrarajan

Wet chemical method was applied to prepare magnesium oxide nanoparticles using magnesium nitrate and sodium hydroxide as precursors in presence of starch as stabilizing agent. The XRD analysis of MgO nanoparticles showed the average particles size of crystallite as 12nm. SEM images also proved the crystalline nature of MgO nanoparticles. Antibacterial studies were done on gram positive (S. aureus) and gram negative (E.coli) bacteria using the above prepared nanoparticles by agar diffusion method. The zone of inhibition was found to more in S.aureus compared to E.coli. Since this method of preparation produced better yield in simple and cost effective way, it can be applied for large scale preparation of magnesium oxide nanoparticles.


2021 ◽  
Author(s):  
Martijn Zwijnenburg

<i>evGW</i>-BSE is used to predict the (band) edge states, fundamental gap, optical gap, exciton binding energy and UV-Vis absorption spectra for a series of cuboidal MgO rocksalt nanoparticles, the largest of with has 216 atoms and edges of 1 nm. The evolution of the electronic and optical properties with particle size was studied, where it was found that while the edge states and fundamental gap change with particle size, the optical gap remains essentially fixed for cuboid nanoparticles containing 48 atoms or more. The explanation for that observation is that while the optical gap is associated with an exciton that is well localised on the magnesium corner atoms and the oxygen atoms directly surrounding it, the edge states, while primarily localised on the magnesium corner atoms (electron) and oxygen corner atoms (hole), show significant delocalisation along the edges away from the corner atoms. The BSE/ev<i>GW</i> optical gap for the smallest particles, the (MgO)<sub>4 </sub>cube, matches with that obtained independently from coupled cluster theory, while for the (MgO)<sub>32</sub>, a cube with edges of 0.6 nm, the BSE/ev<i>GW</i> predicted excitation spectrum agrees well with the experimentally reported reflection spectra of MgO nanoparticles. <br>


2016 ◽  
Vol 35 (4) ◽  
pp. 429-437 ◽  
Author(s):  
Abudayyak Mahmoud ◽  
Öztaş Ezgi ◽  
Arici Merve ◽  
Gül Özhan

Worldwide researchers have rising concerns about magnesium-based materials, especially magnesium oxide (MgO) nanaoparticles, due to increasing usage as promising structural materials in various fields including cancer treatment. However, there is a serious lack of information about their toxicity at the cellular and molecular levels. In this study, the toxic potentials of MgO nanoparticles were investigated on liver (HepG2), kidney (NRK-52E), intestine (Caco-2), and lung (A549) cell lines. For the toxicological assessment, the following assays were used: the particle characterization by transmission electron microscopy, the determination of cellular uptake by inductively coupled plasma-mass spectrometry, MTT and neutral red uptake assays for cytotoxicity, comet assay for genotoxicity, and the determination of malondialdehyde (MDA), 8-hydroxydeoxyguanosine, protein carbonyl, and glutathione levels by enzyme-linked immune sorbent assays for the potential of oxidative damage and annexin V-fluorescein isothiocyanate (FITC) apoptosis detection assay with propidium iodide (PI) for apoptosis. Magnesium oxide nanoparticles were taken up by the cells depending on their concentration and agglomeration/aggregation potentials. Magnesium oxide nanoparticles induced DNA (≤14.27 fold) and oxidative damage. At a concentration of ≥323.39 µg/mL, MgO nanoparticles caused 50% inhibition in cell viability by 2 different cytotoxicity assays. The cell sensitivity to cytotoxic and genotoxic damage induced by MgO nanoparticles was ranked as HepG2 < A549 < Caco-2 < NRK-52E. Although it was observed that MgO nanoparticles induced apoptotic effects on the cells, apoptosis was not the main cell death. DNA damage, cell death, and oxidative damage effects of MgO nanoparticles should raise concern about the safety associated with their applications in consumer products.


2021 ◽  
Author(s):  
Martijn Zwijnenburg

The (band) edge states, fundamental gaps, optical gaps, exciton binding energies and UV-Vis spectra for a series of cuboidal nanoparticles of the prototypical oxide magnesium oxide (MgO), the largest of with has 216 atoms and edges of 1 nm, were predicted using many-body perturbation theory (ev<i>GW</i>-BSE). The evolution of the properties with particle size was explicitly studied. It was found that while the edge states and fundamental gap change with particle size, the optical gap remains essentially fixed for all but the smallest nanoparticles, in line with what was previously observed experimentally. The explanation for these observations is demonstrated to be that while the optical gap is associated with an exciton that is highly localised around the particle’s corner atoms, the edge states, while primarily localised on the magnesium corner atoms ­(electron) and oxygen corner atoms (hole), show significant delocalisation along the edges. The strong localisation of the exciton associated with the optical gap on the corner atoms is argued to also explain why the nanoparticles have a much smaller optical gaps and red-shifted spectra than bulk MgO. Finally, it is discussed how this non-quantum confinement behaviour, where the properties of the nanoparticles arise from surface defects rather than differences in localisation of edge or exciton states, appears typical of alkaline earth oxide nanoparticles, and that the true optical gap of bulk crystals of such materials is also probably the result of surface defects, even if unobservable experimentally. <br>


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