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Open Access Article
1 - Fabrication and photocatalytic degradation of reactive blue 19 by CuWO4, Ag3PO4, and CuWO4-Ag3PO4 composites under visible light irradiation
Aliakbar Arabameri Mohammad Javad Asadollahzadeh Hamed Rashidi Javad SeyfiCuWO4 nano-powder was synthesized via a hydrothermal reaction usingCuCl2.2H2O and Na2WO4.2H2O in the stoichiometric 1:1 Cu:W molar ratio andsodium citrate as raw materials. Also, Ag3PO4 was synthesized by a precipitationmethod using Na2HPO4 and AgNO3. Finally, CuWO4-Ag3 MoreCuWO4 nano-powder was synthesized via a hydrothermal reaction usingCuCl2.2H2O and Na2WO4.2H2O in the stoichiometric 1:1 Cu:W molar ratio andsodium citrate as raw materials. Also, Ag3PO4 was synthesized by a precipitationmethod using Na2HPO4 and AgNO3. Finally, CuWO4-Ag3PO4 nanocompositewas synthesized in a precipitation route using the as-synthesized CuWO4 andAg3PO4 as raw materials. The synthesized materials were characterized by thepowder X-ray diffraction (PXRD) technique. In order to investigate the effect ofconcentration of the Basic solutions on the obtained materials,morphology, thesynthesized materials’ morphologies were studied by field emission scanningelectron microscopy (FESEM) technique. As shown by the FESEM images, theCuWO4 material morphology was spherical particles. Besides, the photocatalyticperformance of the as-synthesized nanocomposites was studied for thedegradation of Reactive Blue 19 (RB19) under direct visible light irradiation. Forthis purpose, several reaction parameters that affect the degradation yield, suchas catalyst amount, pH value, and absence/presence of light, were investigated.The results indicate the higher photocatalytic yield at the presence of lightirradiation when the solution’s pH value was in the acidic range and the weightpercent of silver phosphate in the composite mixture and the catalyst amountwas more. The information revealed that a 0.05 g nanocomposite containing0.24 mmole of Ag3PO4, with an initial pH of 3 and 100 mL of RB 19 with 30 mg/Lconcentration, approximately after 30 min, could remove completely undervisible light illumination. Manuscript profile -
Open Access Article
2 - MXene-based Nanostructures for Water Splitting Process Using the Density Functional Theory
Sima Rastegar Alireza Rastkar Ebrahimzadeh Jaber Jahanbin SardroodiSolar energy reserving and conversion into usable chemical energy withsemiconductor photocatalysts help a promising method to solve both energy andenvironmental issues. Green and efficient energy technologies are crucial wherenanoscience could change the paradigm shift MoreSolar energy reserving and conversion into usable chemical energy withsemiconductor photocatalysts help a promising method to solve both energy andenvironmental issues. Green and efficient energy technologies are crucial wherenanoscience could change the paradigm shift from fossil fuels to renewablesources. One of the most attractive cases is solar energy utilization to earnelectricity or chemical fuel based on semiconductor nanomaterials' ability tofunction as photocatalysts promoting various oxidation and reduction reactionsunder sunlight. Recently, two-dimensional (2D) materials have attracted particularfocus because of their charming properties. We report on a novel class of twodimensionalphotocatalysts for hydrogen generation via water splitting. In thispaper, by Density Functional Theory (DFT) calculations, we investigated Hf2CO2 astwo-dimensional transition metal carbides, referred to as MXene, to understandits photocatalytic properties. Using this method, we theoretically investigatedthe structural, electronic, and optical properties of MXene-based nanostructuressuch as Hf2CO2 that were calculated using GGA-PBE and HSE06 functionals. The latticeconstant for GGA-PBE functional for Hf2CO2 is 3.3592A°. The calculated band gapsfor GGA-PBE and HSE06 functionals for two-dimensional Hf2CO2 MXene were 0.92and 1.75 eV, respectively. This MXene-based nanostructure also exhibits excellentoptical absorption performance. Hence, Hf2CO2 is a promising photocatalyticmaterial. Manuscript profile -
Open Access Article
3 - Fabrication of HPA-ZSM-5 and their successful application to the recyclable heterogeneous catalyst for the smooth synthesis of spiro-pyrido-pyrimidine indoline derivatives
Javad SafaeiGhomi Mohammaed Abdulridha Mutashar Raheleh TeymuriA beneficial and efficient one-pot three-component approach for the synthesis ofspiro cyclic 2-oxindole derivatives have been described by the reaction of isatins,cyclic-1,3-diketones and 6-amino-1,3-dimethyluracil in the presence of highlyactive HPA-ZSM-5 microporous c MoreA beneficial and efficient one-pot three-component approach for the synthesis ofspiro cyclic 2-oxindole derivatives have been described by the reaction of isatins,cyclic-1,3-diketones and 6-amino-1,3-dimethyluracil in the presence of highlyactive HPA-ZSM-5 microporous catalyst. The zeolite catalyst has been synthesizedand the catalyst has been thoroughly characterized by X-ray diffraction (XRD),field emission scanning electronic microscopy (FE-SEM), Fourier transforminfrared (FT-IR), energy dispersive spectroscopy (EDS) and N2-adsorption analysis.HPA-ZSM-5 catalyst exhibited exceptional recyclability at least for 6 times andthe surface acidity was not significantly changed. The best results were gainedin H2O and we found the convincing results in the synthesis of spiro-pyridopyrimidinein the presence of HPA-ZSM-5 (10 mg) under ultrasound irradiation(40W). Experimental simplicity, wide range of products, excellent yields in shortreaction times and low catalyst loading are some of the substantial features ofthis procedure. The present catalytic method is extensible to a wide diversity ofsubstrates for the synthesis of a variety-oriented library of spiro-pyrido-pyrimidineindoline derivatives. Manuscript profile -
Open Access Article
4 - Quantum chemical study of the adsorption of phosgene on Al12N12 nano-cluster
Asma Amiri Reza Ghiasi Karim Zare Reza FazaeliThis study investigated the adsorption of phosgene gas on Al12N12 nanoclusterusing CAM-B3LYP functional. Six possible isomers of the interaction betweenAl12N12 nanocluster and phosgene were considered. The interactions betweennanocluster and phosgene were examined throu MoreThis study investigated the adsorption of phosgene gas on Al12N12 nanoclusterusing CAM-B3LYP functional. Six possible isomers of the interaction betweenAl12N12 nanocluster and phosgene were considered. The interactions betweennanocluster and phosgene were examined through energy decomposition analysis(EDA). Charge transfer between fragments was illustrated with, electrophilicitybasedcharge transfer (ECT). Thermodynamics parameters of the interactionbetween nanocluster and phosgene gas were calculated. The temperature andpressure effects on the thermodynamic parameters were illustrated. Manuscript profile -
Open Access Article
5 - Effect of Li doping on the structural, electronic, and magnetic properties of Mn(N, As)
Monir Kamalian Abdus Salam Sepahi Zeinab MoradiIn this study the effect of Li doping on the structural, electronic, and magneticproperties of Mn(N, As) compounds was investigated using the DensityFunctional Theory (DFT) with the Quantum ESPRESSO software. The effect of theLi impurity on the Mn(N, As) conduction beha MoreIn this study the effect of Li doping on the structural, electronic, and magneticproperties of Mn(N, As) compounds was investigated using the DensityFunctional Theory (DFT) with the Quantum ESPRESSO software. The effect of theLi impurity on the Mn(N, As) conduction behavior and physical characteristicssuch electronic band structure and density of states (DOS) were consideredand discussed simultaneously. The obtained results demonstrated that afterLi doping, the equilibrium lattice constant (a0) was decreased and the bandgap energy was increased. The electronic band structure and density of states(DOS) of the MnN compound showed the metallic and anti-ferromagneticcharacteristics while the MnAs compound exhibited the half-metallic andferromagnetic properties, however, by adding the Li impurity to these compounds,semiconducting and anti-ferromagnetic characteristics were observed. Moreover,the high spin configuration of the Mn atoms at the DOS profiles revealed thatthese two anti-ferromagnetic compounds might also be promising candidatesfor future magneto-electronic and spintronic devices such as resonant tunnelingmagnetoresistance, ultrafast and ultrahigh-density spintronic devices. Manuscript profile -
Open Access Article
6 - A novel investigation on the characterization of bioactive glass cement and chitosan-gelatin membrane for jawbone tissue engineering
Farhad Ghomi َAzadeh Asefnejad Morteza Daliri Vahabeddin Godarzi Mehran HematiThe aim of this work was to investigate the characterization of a bioactive glass(BG) ceramic prepared by sol-gel technique and chitosan-gelatin membranesprepared by lyophilization technique containing 0, 1, and 2 vol.% ethanol. Earlyabsorbingand late-absorbing bone sub MoreThe aim of this work was to investigate the characterization of a bioactive glass(BG) ceramic prepared by sol-gel technique and chitosan-gelatin membranesprepared by lyophilization technique containing 0, 1, and 2 vol.% ethanol. Earlyabsorbingand late-absorbing bone substitutes in practice constitute the mainvolume of bone substitutes used by dentists and orthopedic surgeons. Whenthe graft is to be gradually replaced by normal bone, the important issue is theduration and rate of graft absorption. The prepared samples were characterizedusing Fourier transformed infrared spectroscopy (FTIR) and X-ray diffraction (XRD)analysis. The presence of Ag nanoparticles in bioactive glass was evaluated.Porous membranes were examined under scanning electron microscopy (SEM)to estimate the size of the pores and analysis the morphological behavior. Thepore diameter could be controlled within the range of 10–30 μm by adjusting thepercentage of ethanol. The formation of needle-like hydroxyapatite (HA) crystals onthe surface of the membrane after 7 days of immersion in the ringer's solution wasalso assessed using SEM images. The SEM image results illustrated the porousstructures in the membranes. The average pore size for chitosan-gelatin membranewith 2% ethanol was 30±6.3 μm. Finally, these obtained results suggest thatthe developed membrane with 2% ethanol possesses the prerequisites for tissueengineering and can be used for jawbone tissue engineering applications. Manuscript profile -
Open Access Article
7 - ZnO/WO3 nanocomposites: Pechini sol-gel synthesis, characterization, and photocatalytic performance for desulfurization of thiophene
Nahid Kalhor Mohammad Ghodrati Mehdi Mousavi-KamazaniThe aim of this study was to investigate and overcome thiophene sulfurcontaminants using high purity synthesized ZnO/WO3 nanocomposite andhomogeneous composition by Pechini sol-gel method at low temperature.Zinc oxide is one of the most dynamic elements known in this fi MoreThe aim of this study was to investigate and overcome thiophene sulfurcontaminants using high purity synthesized ZnO/WO3 nanocomposite andhomogeneous composition by Pechini sol-gel method at low temperature.Zinc oxide is one of the most dynamic elements known in this field, itspresence together with tungsten oxide prevents the crystallization of tungstennanoparticles. Fuzzy structure, percentage of elements, surface morphology,penetration reflection spectrum, and photocatalytic degradation of thiophenewere determined by XRD, EDS, SEM, and DRS analyses, respectively. DRS resultsindicate high light absorption, reduced bandgap due to the presence of WO3 aftercombination with ZnO, and increased efficiency. Finally, the nanocomposite withmore than 84% efficiency resulted in the degradation of oxidative desulfurizationof thiophene after 150 min under visible light. Manuscript profile -
Open Access Article
8 - Electrochemical sensor based on SmHCF/multiwalled carbon nanotube modified glassy carbon electrode for dopamine
NGhasem Abdollahi taher yousefi Mohammad Hossein Mashadizadeh Ramin YavariSmHCF/(MWCNT) nano structures modified glassy carbon (GC) electrode wasused as electrochemical sensor for the electro oxidation of dopamine. Ourstrategy was the combination of high electrocatalytic property of SmHCF toelectroactive biomolecule and high conductivity, sur MoreSmHCF/(MWCNT) nano structures modified glassy carbon (GC) electrode wasused as electrochemical sensor for the electro oxidation of dopamine. Ourstrategy was the combination of high electrocatalytic property of SmHCF toelectroactive biomolecule and high conductivity, surface area, and adhesiveproperties of carbon nanotubes. The presence of SmHCFnanoparticles andMWCNT was approved by Scanning electron microscopy (SEM) and cyclicvoltammetry (CV). The electrocatalytic performance of GC, SmHCF-GC, MWCNTGCand SmHCF-MWCNT-GC electrodes toward dopamine was compared andthe results cleared the enhanced electrocatalytic activity of SmHCF-MWCNT-GC(lowering the potential of the oxidation process and increased oxidation currentpeak.) relative to others. This unique combination leads to the improvement ofthe sensitivity of dopamine determination. The differential pulse voltammetrywas used for quantitative determination of dopamine. The linear dynamic rangerelationship between oxidation peak currents and dopamine concentration was2× 10-7 - 5× 10-6 (slope = 24.187 μAμM-1) with the detection limit of6× 10-8 forDA.The sensitivity of the electrode was 24.187 μAμM-1 that it is very high relativeto reported works. The relative standard deviation (RSD) of the reproducibility(5 modified electrodes), repeatability (successive 10 times), and stability (50days) of the modified electrode were 3%, 3% and 2.5% respectively. The accuracyand selectivity of the modified electrode were indicated in the real sample ashuman serum samples and in the presence of possible interfering agents. Goodselectivity and recovery were observed for the modified electrodes. Manuscript profile
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