Sharif Digital Repository

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 project, BiVO4 , Mn3O4 and BiVO4- Mn3O4 nanocatalysts were synthesized using the hydrothermal method. The properties of these nanocatalysts were determined by XRD, SEM, FT-IR, DRS, PL, ICP, EDX, BET and AA techniques. Analysys XRD patterns and SEM images of samples confirmed monoclinic structure for BiVO4 and tetragonal structure for Mn3O4. The DRS and PL spectra showed adctrease in the band gap and electron – hole pair recombination for BM 60:40 relative to BiVO4. Oxygen production was studied in the presence of different percentages of BiVO4 and Mn3O4 in BiVO4 - Mn3O4 nanocomposite and was observed that the 60:40 wt.% (Bismuth vanadate 60% and manganese oxide 40%) produced more... 

The use of nanocarriers has been recently considered for targeted drug delivery. In the targeted drug delivery systems, drug is directed to the target tissue and its adverse effects are reduced on the healthy tissues. Graphene oxide and hollow mesoporous carbon nanospheres are two types of the most interesting carbon-based nanocarriers because of their unique properties. Aim of the thesis has been the synthesis of the nanocarriers based-on graphene oxide and hollow mesoporous carbon nanospheres and their surface modifications by magnetic polyamidoamine dendrimer and oxygen-rich polymers such as poly(epichlorohydrin) and hyperbranched polyglycerol. These modifications result in higher... 

The sluggish kinetics of oxygen evolution and reduction on the surface of electrodes is a major problem for the widespread use of devices that are based on sustainable, renewable and clean technologies, such as fuel cells and metal–air batteries. Therefore, the development of efficient and cost–effective materials for the oxygen evolution (OER: Oxygen Evolution Reaction) and reduction reactions (ORR: Oxygen Reduction Reaction) is highly desirable. In recent years, Metal–organic frameworks (MOFs) and their derivatives, have drawn considerable attention as potential catalysts and electrocatalyst due to their high surface area and porous structure. In this study, cerium (IV) oxide was... 

The sluggish kinetics of oxygen evolution and reduction on the surface of electrodes is a major problem for the widespread use of devices that are based on sustainable, renewable and clean technologies, such as fuel cells and metal–air batteries. Therefore, the development of efficient and cost–effective materials for the oxygen evolution (OER: Oxygen Evolution Reaction) and reduction reactions (ORR: Oxygen Reduction Reaction) is highly desirable. In recent years, Metal–organic frameworks (MOFs) and their derivatives, have drawn considerable attention as potential catalysts and electrocatalyst due to their high surface area and porous structure. In this study, cerium (IV) oxide was... 

The reaction of oxygen evolution, in other words, the process of water oxidation in the presence of heterogeneous photocatalysts such as g-C3N4, Co/g-C3N4 /rGO, Ni/g-C3N4/rGO, CoNi/g-C3N4 / rGO, Co2Ni1/g-C3N4/rGO, and Co1Ni2 /g-C3N4 /rGO were studied. The characterization of these nanocatalysts was done by XRD, SEM, FT-IR, BET, DRS, CHN, and TGA techniques. Thermogravimetric analysis (TGA) was used to check the thermal stability of these nanocatalysts. The FT-IR spectroscopy was used to identify the functional groups in graphitic carbon nitride and to confirm g-C3N4 synthesis. According to BET results, the pore sizes were determined which were at the nano and macro scale. It was found that... 

We present a systematic study of the composition, electronic structure, and the band gap energy in pure, Cu-doped and O-vacancy@Cu-doped TiO2 using periodic density functional theory (DFT) calculations by several techniques implemented by Abinit code. Herein, the effect of Cu impurity and O-vacancy in three famous crystalline structures of TiO2 i.e. rutile, anatase and brookite, with 6.25% and 12.5% of Cu impurity were investigated. Bulk titania was modeled using 2×2×1, 2×1×1 and 1×1×1 super cells (24 atoms with formula of Ti8O16) and 2×2×2, 2 2×1 and 1×2×1 super cells (48 atoms with formula of Ti16O32) for rutile, anatase and brookite phases, respectively. One Ti atom replaces with Cu atom... 

Water is the essence of life. On average, a human being consumes about 2 liters of water every day and it accounts for about 70% of the weight of human body and this alone reflects the importance of water for continuation of life. The production process in textile and dyeing factories as increasingly growing industrial units consume large amounts of water and consequently produce large volumes of wastewater. Such industries face environmental regulations on one hand and are unable to compete with foreign products on the other since the imported counterparts are low-priced. Therefore, finding a cost-effective and efficient solution for treatment of waste water and troubleshooting and... 

In the first part of this thesis, the application of core-shell magnetic nanoparticles supported V(V), Mo(VI) and Mn(III) complexes in the catalytic oxidation and reduction reactions was discussed. A magnetically recyclable vanadium(V) catalyst was synthesized by covalent anchoring of VO(salen)Cl on silica coated Fe3O4 nanoparticles. These nanoparticles were efficient catalysts for selective oxidation of sulfides to corresponding sulfoxides with urea hydrogen peroxide in excellent yields. Leaching and recycling experiments revealed that the nanocatalyst can be applied for nearly complete oxidation of sulfides for at least five successive cycles. A manganese(III) complex was immobilized on... 

Selective oxidation of cyclohexene and styrene were investigated using molecular oxygen under mild conditions. Au/TiO2 and Au/Al2O3 surfaces were impregnated with three different Ionic Liquids. Supported Ionic Liquids gold nanocatalysts are particularly versatile catalysts for oxidation reaction with exceptionally high efficiency and significant selectivity.
Selective oxidation of alkenes by hexadecyl-trimethyl-ammonium bromide-stabilized gold nanorods and gold nanosphere were investigated using molecular oxygen in aqueous solution under mild conditions. Colloidal gold nanoparticles are particularly versatile catalysts for oxidation reaction with exceptionally high efficiency and... 

Studying of synthetic models which have many similarities to Oxygen Evolving Complex (OEC) in Photosystem II (PS II) can play a very significant role in gaining an insight to mechanism of oxidation of water in PS II. The aim of this study is to investigate the mechanistic and kinetic aspects of oxidation of dopamine as an important neurotransmitter in body by tri and tetranuclear oxo-bridge manganese clusters which have been reported in the past to get some information about the influence of protonation and deprotonation of oxo-bridges and water molecules bonded to these clusters on properties of them in redox reactions.In aqueous media, the trinuclear complex... 

This study deals with the treatment of medium density fiberboard (MDF) effluent aiming at the removal of TSS, COD, BOD and Turbidity by means of soil aquifer treatment (SAT). Removal of parameters were evaluated during transport of MDF effluent under unsaturated flow conditions in 1-m soil (sandy-clay soil) depth. The experimental results showed that the new process with SAT to be very effective. The TSS, COD, BOD and turbidity removal average was about 99%, 30%, 89 and 98.5% at the optimum operation condition, respectively. The SAT should be added before the UASB in order to achieve high removal rate of COD and BOD. The UASB (concentration sludge 40000 mg/l) after SAT treatment MDF... 

In order to obtain more insight into the enzymatic oxygen-atom-transfer (OAT) process and elucidate the relation between the structure and function of the synthetic model complexes, new molybdenum and tungsten complexes containing different chelating ligands were systematically prepared and investigated. Herein, the cis-dioxo-molybdenum(VI) complexes with new aromatic dithiolene ligands, formulated as [MoO2(2,3ppdt)2]NR4 and [MoO2(3,4ppdt)2]NR4, (2,3ppdt= pyrido-2,3-pyrazine-2,3-dithiolato, 3,4ppdt= pyrido-3,4-pyrazine-2,3-dithiol and R= Et or Bu) were prepared and investigated by elemental analysis, IR, 1H NMR and UV-Vis spectroscopic methods. An OAT reaction of [MoO2(2,3ppdt)2]2– with PPh3... 

In this study, electrochemical oxygen reduction reaction (ORR) was studied on Cu, Pd, Rh, Pd-Cu and Rh-Cu alloys in alkaline solution. Pd-Cu and Rh-Cu alloys were prepared by electrochemical methods. On copper electrode it is found that direct oxygen reduction is accompanied by the electrochemical reductions of copper oxides. Also, mechanism and kinetics of reaction change as the amount of copper oxides increase on the surface. For electrodeposited alloys, it is indicated that the reactivity of Pd-Cu and Rh-Cu alloys toward oxygen reduction is higher than pure Pd and pure Rh. The maximum reactivity among Pd-Cu alloys is related to the sample with 24.5% copper content while the maximum... 

The aim of this study is to mimic water oxidizing complex to find new materials and also to understand their rules in this matter. To achieve this, manganese complexes containing 2,4,6-tris (2-pyridyl)-1,3,5-Triazine, 1,10-phenanthroline, 1,10-bipyridine, Schiff base, amino acids, 2,6-pyridinedicarboxylic acid, 2-pyridinecarboxylic acid have been synthesized and characterized by elemental analysis, IR, EPR, ESI-MS, electronic absorption spectroscopy, electrochemistry, X-ray diffraction and oxygen evolution in presence of oxone and Ce(IV). It is shown that the reaction between Mn(II) complexes containing 2,4,6-tris¬(2-pyridyl)-1,3,5-Triazine, 1,10-phenanthroline, 1,10-bipyridine,...