Sharif Digital Repository

In this project, we have studied the geometric and electronic structures of CdS nano-particles. The bulk CdS is known to be a semiconductor with the experimental energy gap of 2.42eV which is more than twice the theoretical resuls based on LDA or GGA energy functionals used in the density functional theory. However the calculations based on Kohn-Sham formalism used in DFT (KS-DFT) predicts the geometric structure of bulk semiconductors fairly well. Therefore, we have employed the KS-DFT formalism for our CdS nano-particles and have used the Gaussian as well as SIESTA computer codes to predict the geometric structures of these nano-semiconductor-particles. For calculating their electronic... 

H2S is a toxic gas used in chemical laboratories and industries. H2S is also liberated in nature due to biological processes and also from mines and petroleum fields. At some threshold level, exposure to concentrations over 10 ppm can result in headaches, irritability, dizziness and in some case leads to death. So that introducing sensors which sense H2S at ppm level with the low response time is so essential. The present work emphasizes on H2S resistance-sensing properties of pure and Pd doped WO3 films prepared by Arc discharge method. XRD, SEM, EDAX and XPS were applied to analyze crystal structure, morphology and chemical composition of the films. The analyzes results showed that films... 

The optimization of CdS photoluminescence nanoparticles which has been considered as one of the most important II-VI semiconductors has been studied here. As the first step, synthesis parameters effect on CdS:Mn photoluminescence intensity has been regarded by thermochemical method. Effect of parameters like pH solution, heating time and capping agent concentration on photoluminescence of these materials has been experimented. What seemed so important was reaching nanoparticles with suitable nano size and nano structure and having highly photoluminescence intensity. Observing the good effect of Oxygen on photoluminescence of CdS nanoparticles leaded us to concentrate on synthesizing CdS:O... 

In this study, transition metal sulfide, with a high accessible surface and abundant electroactive centers, was used as an electrocatalyst to fabrication an electrochemical sensor of hydrazine and hydrogen peroxide. the direct growth of thin film of nanocomposite can be considered as an efficient method to modify the electrode surface, and the application of these modified electrodes as electrochemical sensors. the cobalt iron sulfide (CoFeS) nanosheets were directly grown on Cu2O nanospheres in order to design hierarchical nanocomposite by using efficient, inexpensive and fast method. Here, Cu2O nanospheres not only served as substrate, but also steer the CoFeS to attach on nanospheres... 

Current study reports a state-of-the-art approach for synthesis of nanocatalyst based on Oxo-vanadium Schiff base complex which itself is, covalently, immobilized on core-shell magnetic nanoparticles of silica-modified magnetite (Fe3O4@SiO2) and the substantial potential it offers as heterogeneous catalyst in selective oxidation of sulfides.Synthesized materials and complexes in this project were characterized by means of modern spectral devices such as FT-IR, XRD and SEM.Unlike routine process of the preparation of heterogeneous catalysts that requires further modification of the core-shell nanoparticles with capping agents, here we have been capable of cutting some time-consuming steps... 

Energy and the environment issues are among the most important concerns of the present age. Global demand for energy is growing rapidly and energy demand is projected to double within the next 15 years. However, today most of the energy consumption comes from fossil fuels, which have limited and unstable reserves and are among the sources of environmental pollution. Hence, the production and conversion of clean energy from renewable sources is considered as an intelligent solution to significantly reduce dependence on fossil fuels and protect the environment. Fuel cells, metal-air batteries, and water electrolysis are among the simplest, most efficient, and most reliable technologies among... 

In this study polyoxotungstate-based inorganic-organic hybrid [C272H162N80Cu16.5W36O129Na9] .80.5H2O was synthesized in situ. This inorganic-organic hybrid resulted from the reaction between copper salt and sodium tungstate with the benzimidazole ligand. Combining inorganic-organic hybrid with polyoxotungstate improved the ability of this catalytic system in oxidation and cycloaddition reactions. The resulting product was identified by IR, X-ray diffraction (XRD), elemental analysis (CHNS), inductively coupled plasma (ICP-OES), field emission scanning electron microscope (FE-SEM) and EDX were technique. The catalyst was used in optimal conditions in sulfide oxidation and azide-alkyne... 

In the first part, Co-Zn hydroxides were deposited onto CuO nanorods, and their electrochemical behavior and capacitive performance were investigated. To this end, Cu(OH)2 nanorods were grown on copper foam through a chemical process. Then, Cu(OH)2 were converted to CuO nanorods via a calcination process. In the next step, Co-Zn-OH sheets were electrodeposited on CuO nanorods. FE-SEM images of the prepared electrodes demonstrate the formation of Co-Zn-OH nanosheets onto CuO nanorods. Crucial electrochemical evaluations such as cyclic voltammetry (CV), galvanostatic charge/discharge (GCD), rate capability, and electrochemical impedance spectroscopy (EIS) were carried out. According to the... 

Miniaturization of electronic devices with portable, flexible and wearable characteristics created a great demand for high-performance microscale energy storage devices with lightweight and flexible properties. Among the energy storage devices, wire-shaped micro-supercapacitors have recently received tremendous attention due to their small size, lightweght, and high flexibility. In the first part, the porous dendritic Ni-Cu film was prepared on Cu wire substrate (CW) for fabrication of high- performance wire-type micro-supercapacitors (micro-SCs). The porous structure with dendritic morphology provides a high surface area, short ion diffusion pathway and low contact resistance between... 

In the first part of this research, we have developed a simple and effective ratiometric fluorescence sensor for selective detection of dopamine (DA) in alkaline media by simply mixing thioglycolic acid (TGA) functionalized orange fluorescent cadmium telluride (CdTe) quantum dots (QDs) with amino-functionalized blue fluorescent carbon nanodots (CDs). Under a single excitation wavelength of 365 nm, the sensor exhibits dual-emissions centered at 445 and 603 nm. The fluorescence of CdTe QDs is selectively quenched by DA, whereas the fluorescence of CDs is insensitive to the analyte. In the presence of different amounts of DA, the variations in the dual emission intensity ratios exhibit a... 

In this project, a new magnetically recoverable nanocatalyst was developed by immobilizing of vanadyl acetylacetonate, [VO(acac)2], onto surface of silica coated magnetite nanoparticlest that modified by reaction between 3-aminopropylthriethoxy silane and 5-bromosalicylaldehyde. In the first step, magnetite cores were synthesized by co-precipitation method and coated by tetraethyl orthosilicate (TEOS) and modified by 3-aminopropyltriethoxy silane to provide a precursor for Schiff base condensation reaction. In the next step, amino-functionalized silica coated magnetite nanoparticles were reacted by 5-bromosalicylaldehyde to formation a Schiff base moiety onto surface of magnetite coated... 

The goal of this study is to synthesise and study the catalytic properties of a Mn-Porphyrin complex fixed on a magnetic nanoparticle bed. This nanocatalyst was used in oxidation of sulfides and epoxylation of olefin. In the multistage synthesis of this catalyst, iron oxide magnetic nanoparticles were first prepared, then, by silanizing these nanoparticles, and then using the 3-chloropropyltrimethoxy methanol reactor, Immobilzation the material on the substrate and immediately react in reaction Substitution of the nucleus of friendship and using a sodium azide reaction, bromide is replaced by azide. Subsequently, by synthesising 4-hydroxy porphyrin and replacing one of its positions with... 

Electrochemical capacitors are type of electrical energy storage devices that research on them has grown due to the development of hybrid vehicles. It is proved that lectrodes configuration has vital role in electrochemical capacitors performance. In this thesis, transition metal hydroxides, oxides and sulfides along with carbonaceous materials have benn used as active materials in supercapacitors. In first section, graphite has been poroused by applying anodic potential of 2V in acidic electrolyte which results in exfoliation of graphite planes due to gas diffusion to the interlayer of graphite sheets. The prepared porous graphite was used as precursor for electrodeposition of nickel... 

In the first part, we report a new and simple procedure for preparing reduced graphene oxide /nickel, cobalt hydroxide composite (Ni,Co-OH/rGO/NF via a fast and simple two-step electrochemical method including potentiostatic routes in the presence of Cetyl trimethyl ammonium bromide )CTAB( as a cationic surfactant. In the first step, a piece of nickel foam (NF) is sonicated in a suspension of graphene oxide (GO, 6 mg/L) after dried in an oven, reduced by electrochemically. After that, Ni, Co LDH were co-deposited on the surface of rGO/NF. The resulting modified electrode afforded extremely high specific capacitance of 2133.3 F/g at a current density of 4 A g-1. FE-SEM results showed that... 

In this thesis, functionalized Fe3O4 nanoparticles have been utilized as a support for immobilization of homogeneous catalysts. The catalytic activity of the supported heterogeneous nanocatalysts was investigated in hydrocarbon and sulfide oxidation reactions. In the first part of this research, imidazole functionalized Fe3O4 nanoparticles (Fe3O4@SiO2-Im) were used as a support to anchor manganese porphyrin complex, [MnT(4-OMeP)P]OAc; via axial ligation. Catalytic application of the immobilized manganese porphyrin was studied in oxidation of alkenes and sulfides. To find suitable reaction conditions, the effect of different parameters such as solvent and temperature on immobilization process... 

In this study a novel oxo-diperoxo tungsten(VI) complex [WO(O2)2(phox)] was prepared by reaction of WO3 in H2O2 with oxazine-type ligand, 2-(2′-hydroxyphenyl)-5,6-dihydro-1,3-oxazine (Hphox). The complex was characterized by FTIR, 1H NMR and elemental analysis. The single-crystal X-ray diffraction studies revealed a seven coordinate tungsten center with a distorted octahedral geometry. The [WO(O2)2(phox)] complex was applied as a catalyst in efficient, and selective oxidation of sulfide to sulfoxide using 30% H2O2 or UHP as oxidants. This catalyst showed excellent catalytic activities and high selectivities in producing a variety of aryl and alkyl sulfoxides under mild conditions. To get... 

In order to have more understanding of the cooperative effect between the metal centers in the multimetallic complexes, on their physicochemical properties and chemical reactivity, some new bi- and tetra-nuclear Cu(II), Ni(II) and Pd(II) complexes of compartmental binucleating ligands were synthesized and characterized. In this study, a series of new compartmental binucleating thiophenol-based proligands PL1-PL4 from the Schiff base condensation of 2 equiv. of o-aminophenol or 2-amino-4-methylphenol with 1 equiv. of 2,6-diformyl-4-alkyl- thiocarbamoyl were synthesized and characterized. New Bi- and tetra-nuclear copper (II) complexes derived from these binucleating compartmental... 

In this project a new dioxovanadium (V) complex of Schiff base ligand N`-[1-(2-hydroxynaphthyl)methylene]-2-hydroxy benzohydrazide was synthesized and fully characterized. This complex is a pentacoordinate one in which the dioxo groups are in cis form. For synthesis of this complex, first, the intermediate compound 2-hydroxy benzohydrazide was synthesized from hydrazine and methyl salicylate and condensed with 2-hydroxynaphthaldehyde to give the Schiff base ligand (H2NBD). Then from reaction of ligand and ammonium vanadate in DMF in 65 ̊C, the NH4[VO2(NBD)] was prepared. This complex was fully characterized by UV, NMR and IR spectroscopies and it’s application as catalyst in sulfoxidation... 

We have reported a new and efficient synthesis of tetrahydrothiopyrano [2,3-b]indole skeletons via unique tandem reaction of indoline-2-thiones to Baylis-Hillman adduct acetates. This protocol is a very mild and simple method for construction heterocycles in a one-step process. This is a convenient and diastereoselective synthesis of methyl 4-aryl-2,3,4,9-tetrahydrothiopyrano[2,3-b]indole-3-carboxylate systems in the presence of K2CO3 in acetonitrile. The major benefits of the current study are the one-pot procedure, high yields and diastereoselectivity, short reaction times and the similarity of the products to the biologically active moieties.
In addition 1, 4-diazabicyclo [2.2.2]... 

In this project synthesis and characterization of a novel dioxomolybdenum(VI), with tetradentates Schiff base ligand which was soluble in water. The first step of complex synthesis was chloromethylation of salicylaldehyde and the second step was the reaction with the pyridine. After that salen ligand will be synthesized by reaction with ethylene diamine. In the presence of Mo(acac)₂(VI) the final product will be synthesized. The complex was characterized by spectroscopic methods such as UV, NMR, FT-IR and CHN. The synthetized complex was studied for olefin (aliphatic and aromatic) epoxidation as well as sulfide oxidation. It was more active in aliphatic olefins epoxidation than sulfide...