Sharif Digital Repository

The purpose of this project is to construct a gas sensor based on one-dimensional nanostructured electrodes of copper oxide. By creating of these nanostructures, can be reduced breakdown voltage of gases, including flammable, to a few hundred volts. The CuO nanowires were grown by thermal oxidation on copper substrate to form self-assembled. In this method, by heating the copper foil,Cu2O also was formed on substrate. Effects of surface tension of substrate and oxidation temperature on surface density and structure of the nanowires were studied. SEM images taken from the samples showed that the surface tensions increases the density of nanowires and increasing the oxidation temperature leads... 

The microstructure, morphology and quality of the perovskite organic-inorganic layer as an absorber layer in perovskite solar cells has a significant role on the efficiency and energy conversion of the device. Different solvent engineering methods have been employed to prepare the perovskite layer with the desired properties and thier reproducibility have been studied. Herein, we applied a two-step solution approach by solvent engineering method, using solvents such as isopropyl alcohol, acetone and thier mixture, for preparation of lead iodide films. Moreover, their metallurgical and photovoltaic properties were investigated. The impact of solvent engineering, using solvents such as... 

The need for better characterization systems (electron microscopes) and high resolution lithography systems, have made electron beams systems an interesting choice for research and development. In fact, all of the above applications require ideal electron beams (beams with minimum energy spread, maximum current density, and minimum spotsize), and electron-optic lenses (simple lenses with minimum aberration). In this research, theoretical aspects of electron emission and lens systems are reviewed. Field emission array (FEA) electron guns are introduced as electron sources with minimum energy spread, and a new simulation method is presented in order to minimize the complexity, and reduce the... 

In this research, various molecular dynamics simulations have been carried out and sensitivity of the crack propagation process to the simulation parameters including the load pattern, maximum applied strain, temperature, loading frequency, and percentage of defects is investigated. Moreover, the crack propagation in poly-crystalline structure is studied using a larger model consisting of several atomic crystals and the effect of the presence of crystals on crack growth is investigated. In the next step, a novel coupling technique is developed in the continuum–atomistic multi-scale analysis of temperature field problems. In this manner, a new thermostat is introduced based on the single-atom... 

Graphene oxide is a single sheet of Carbon atoms which has been arranged on a two-dimensional honeycomb lattice. Functional groups such as epoxy, carboxyl and carbonyl are located on basal plane and at the edges of graphene oxide and they localize electrons on the surface of graphene oxide and open band gap in its band structure. Pure graphene has zero band gap, so existence of fluorescence properties is unlikely; but graphene oxide has fluorescence properties due to band gap in its band structure. Fluorescence properties of graphene have been used in live cell imaging and drug delivery, so study and increasing of fluorescence properties is significantly important. The purpose of this... 

A series of V2O5 catalysts supported on multiwall carbon nanotube (MWCNT), single wall carbon nanotube (SWCNT) and graphene were synthesized by hydrothermal and reflux methods for oxidative dehydrogenation of propane (ODHP) to propylene. The catalysts were characterized by techniques including the BET surface area measurements, XRD, FTIR, H2-TPR, NH3-TPD, FESEM and UV-vis diffuse reflectance. The performance of the catalysts and the supports were subsequently examined in a fixed bed reactor. The vanadium catalyst supported on graphene with C/V molar ratio of 1:1 synthesized through the hydrothermal method had the best performance under the reactor test conditions of 450°C, feed C3H8/Air... 

In this thesis, the thermal and thermoelectric properties of graphene-based nanostructures are numerically investigated. The transport parameters, including Seebeck coefficient, electrical conductance, and thermal conductance are obtained as well as the thermoelectric figure of merit. The Hamiltonian matrix is set up using a third nearestneighbor atomistic tight-binding approximation and the dynamical matrix using a 4th nearest neighbor force constant approximation. Both ballistic and diffusive regimes are considered in this work. For transport investigation, the Landauer formula and the nonequilibrium Green’s function techniques are used. The role of temperature, geometrical parameters,... 

In this thesis, graphene/titanium oxide and graphene/tungsten oxide composites were synthesized using arc discharge in liquid and their photocatalytic behavior was studied. Based on physical principles of the arc discharge in liquid, geometry of point-point was used for metallic Ti and W electrodes. TiO2 and WO3 nanoparticles and their nanocomposites with graphene and graphene oxide (GO) were studies using DLS, UV-vis, PL, ICP, FTIR, XRD, Raman and TEM characterization. The concentration of aqueous solution of Rhodamine B mixed with graphene/WO3 and GO/WO3 composites and WO3 nanoparticles under ultraviolet light was measured versus time and reached to 0.1, 0.6 and 0.6 of the initial value... 

In this thesis, we study the application of graph theory in chemistry. Such as, molecular graphs, modeling, algorithms, topologicalindicesandsoon. Themaingoalinthisresearchis collecting problems in chemistry which have mathematical models, specially in graph theory. Also we study the methods applied to them by considering the problems in chemistry with mathematical approach. In particular case, dendrimers and other structures of chemistry have been attributed to some graphs, where by studying their graphical parameters, like connectivity, independent sets, perfect matchings, isomorphism and topological indices and other parameters, we obtain some results in chemistry  

In this study, the effect of nano-structure mesoporous supports on the performance of the nickel catalysts in the combined reforming process was investigated. In the first part, magnesium aluminate spinel was prepared using a sol-gel method and employed as a catalyst support for the preparation of nickel catalysts with various nickel contents. The samples were characterized using BET, XRD, TPR, TPO, CO chemisorption and SEM techniques. The results showed that increasing the nickel content up to 7.5 wt.% improved the catalytic activity, but further increase in nickel content decreased the activity due to the decrease in the nickel dispersion. The catalysts except of the sample with 2.5 wt.%... 

Transparent conductive materials have been widely used in semiconductor technology. Among them all, Indium tin oxide (ITO) has been utilized as electrodes in liquid crystal displays, solar cells, heat reflecting films and gas sensors.In general, the desired properties of transparent conductive oxides are high conductance and transmission. However, due to the complexity of ITO molecular structure, the film properties strongly depend on the depositon parameters.In first part of this thesis, physical properties and electrical characteristic of ITO films, different deposition techniques, and effects of deposition parameters (substrate temperature, pressure, power, etc. ) on film properties are... 

Nowadays, biocompatible composites are being utilized as scaffolds supporting cell growth promotion and features with the aim of organs regeneration or substitution based on tissue engineering principals. Moreover, in order to improve bioscaffolds features and function, various two-dimensional composite fillers have been under investigation; for instance, Graphene, Boron nitride, Metal dichalcogenides and oxides and black phosphorous and also electrospinning is mentioned as one of the most compatible and conventional processes of scaffold design that is also the main method of fabrication in this study. In addition, it should be pointed that biocompatible polymers and particularly natural... 

Some widely used drugs such as paclitaxel (PTX) are poorly water soluble. The clinical use of PTX with solubilizer causes side effects. These problems limited its application in treatments. In this work has been studied the effect of β-CD-g-PG (HPCD) hybrid nanomaterials, conjugated PG branches onto β-CD core, on the water solubility of PTX. First HPCD has been synthesized. Then the inclusion complex of PTX with HPCD was prepared. The inclusion complex efficiency for PTX:HPCD complex in 1:25 mole ratio was 87%. Then solubility of PTX with HPCD in water has been determined, showing Ap type phase solubility diagram. Then stability constants were calculated. The first order and second order... 

Paclitaxel is using as a drug against breast and ovary cancers. Although paclitaxel has high biologic activity, it has very poor solubility in water the same as some other drugs. Since drugs should be solved in water to be absorbed by the body, for absorb enhancement, we should use carriers which includes both polar and non polar sites.
Beta-Cyclodextrin which has this feature is capable for producing inclusion complex in its hydrophobic pores with non polar materials. In this project, by adding polymeric polyglycerol branches on Beta-Cyclodextrin, a polymeric nanostructure has been developed to enhance water solubility in comparison with pure Beta-Cyclodextrin.
Study on producing... 

Paclitaxel is used as a drug against breast and ovarian cancers. Although paclitaxel has high biologic activity, it has very pour solubility in water like some other drugs. Since drugs should be solved in water to be absorbed by the body, for absorb enhancement, we should use carriers which includes both polar and non polar sites. eta-Cyclodextrin which has this feature is capable for producing inclusion complex in its hydrophobic pores with non polar materials. In this project by adding polymeric polyacrylamide branches on beta-Cyclodextrin, polymeric nano structure has been developed to enhance water solubility in comparison with pure beta-Cyclodextrin. Study on producing polymeric nano... 

Recently, synthesis of nanostructured CdTe of II-VI semiconductors has caused much attention due to their great potential in many optoelectronic applications such as solar cells and detectors. Among different synthesis methods, solvothermal process is a suitable method due to low temperature synthesis. In this work CdTe nanoparticles, nanowires, nanorods and nanobelts with cubic structure (zincblende) were synthesized via a simple solvothermal method at a moderate temprature. The effect of processing parameters on some properties sush as crystal structure, morphology, crystallite size chemical bond configuration and optical properties of synthesized CdTe were investigated. It was found that,... 

The 21st century is facing two major obstacles on the way of accessing clean and renewable energies: first, the rapidly increasing need to the energy resources; and second, the limitations - as well as side-effects - of the conventional fossil fuels. Meanwhile, the production of the solar hydrogen, through water splitting, has been proposed as a promising solution to find a clean and effective source of energy. This process occurs in photo-electro-chemical systems with the activation energy that lies within the range of visible light. One approach that herewith comes to mind, is to start the process by utilizing semiconductors to absorb the sunlight. In order to overcome the overpotential... 

TiO2 is one of the most frequently used photocatalyst materials. Porous TiO2 nanostructure has drawn much attention recently due to high decomposition rate of organic pollutants. In this thesis, TiO2 nanoparticles were synthesized via sol-gel method and were coated on cotton and jute fiber separately; besides, the impregnated fibers were heat treated to eliminate cellulose. Titanium tetraisopropoxide (TTIP) was used as a precursor and two solutions, acidic and alcoholic, were used as the primary solutions for synthesis. In acidic solution, the crystalline phase and size distribution of TiO2 nanoparticles were evaluated with changing pH.Then, the appropriate pH was chosen for coating. In... 

Polypropylene/clay nanocomposites are considered as a group of widely used nanocomposites in industrial applications due to their desired properties, yet reasonable cost. However, dissimmilar chemical nature of polypropylene and clay do not allow perfect dispersion of silicate layeres in the matrix and thus restricts full advantages of these composites.An earlier investigation in this group considered solving this shortcoming through incorporation of PA6 as an intermediate phase to enhance clay platelets dispersion. The current project follows this route via studing the influence of molecular weight of the PP matrix, compatibilzer and the mixing procedure of the compound. To investigate the... 

Polypropylene (PP) is a fast growing polymer, particularly in automotive industry, where PP compounds have replaced many different parts made of conventional materials. In the first step, PP-g-MA, as compatibilizer, was synthesized. Two kinds of polypropylenes including a homo- and a block co-polymer were incorporated for this goal. Characterizations via titration and FTIR tests revealed higher degree of grafting reaction when homo-polymer was used for synthesizing PP-g-MA. In the next step, nanocomposites containing 3 wt% nanoclay with three different PP-g-MA/nanoclay ratios of 1:1, 2:1 and 3:1were made using a co-rotating twin screw extruder. Tensile, impact and XRD tests were performed to...