Sharif Digital Repository

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  

This thesis demonstrate a new hybrid Plasma Electrolytic Oxidation (PEO)-Hydrothermal method to produce a nano-structured TiO2 layer over a titanium substrate. Microstructural characterization was carried out by using a FE-SEM to explore nano scale structural changes due to hydrothermal treatment. More over EDS was used to analyse elements of the coating. The FE-SEM images confirmed formation of a 3D network consisting “nano flakes+nano fibers”after 6 or 12 hours and a ”sea urchin like nanostructure+nano fibers” after 24 hour. To improve the performance of nano-structured photoelectrodes, different electrolytes were studied to achieve maximum amount of anatase phase. the best results was... 

Due to the ability in producing nanostructured materials, Mechanical Alloying has gained outstanding position in comparison with other materials fabrication techniques. In this research,with different milling condition, Alloying of Ni-Ti-Ag was performed. In order tofabricating the alloy, twodifferent initial materials were employed.In one process, nickel, titanium and silver were used as raw materials, and in another, titanium hydride was used instead of titanium.Initial powders were investigated in planetary mill, SPEX mill and vibratory disc indifferent times. Using XRD, microstructure information and phase analysis was obtained. EDS was employed for determination of elemental... 

A low-carbon steel, containing 0.05 C, 0.203 Mn and 0.0229 Si (all in wt%) rapidly annealed in temperature range 300 ºC - 900 ºC, after severe plastic deformation (SPD) by constrained groove pressing (CGP). Microstructure evolution was investigated by Scanning Electron and Optical Microscopy. Mechanical properties were evaluated by hardness measurements and Shear Punch Testing (SPT). The result showed a thermal stability at 300 ºC and 400 ºC, which recrystallization did not occurred in these temperatures up to 2 h holding time. By annealing at 500 ºC and 600 ºC, the onset of recrystallization observed after holding times of 10 min and 20 s, respectively. Predicting the kinetic of... 

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 study, ternary metal oxide coating consisting of Ti, Ru, Ir were prepared by sol-gel method. In order to achieve optimal conditions, the effect of number of layers, temperature and velocity of the heat treatment, the amount of ruthenium and iridium, polymeric additive on the coating and also, comparisons of binary and ternary oxide coatings were studied. The corrosion behavior was examined by anodic polarization and cyclic voltammetry tests and accelerated stability test (AST), the morphology of coatings was studied by field emission scanning electron microscopy (FESEM), phase and elemental analysis was performed using X-ray diffraction (XRD) and energy dispersive spectroscopy... 

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... 

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... 

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... 

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,... 

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... 

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 the following research a novel method for vibration analysis of nano-structures has been presented. This method is based on equalizing the lattice stiffness to a continuous model. In this method, an equivalent continuous system is considered for each atomic lattice and for the equivalent system a modified differential equation is presented. The governing equation of the continuous system is modified in such a way that the displacement field of the atomic lattice obtained by solving this differential equation gives similar responses to the displacement field of atomic lattice. This differential equation is derived from the Taylor expansion of the displacement field about the lattice atoms.... 

For realization of nanosale photonic device required by the future system, electron beams, and scanning probe microscopes have been used to control the site on the subtrate. However, these techniques have a fatal disadvantage because they cannot deal with insulators and Diffraction of light, limiting their application.To overcome this difficulties, we design and implement near-field optical chemical vapor deposition, which enables the fabrication of nanometer-scale structure, while controlling their position. To guarantee that an optical near field is generated sufficiently, we fabricated a sharped W-tip by electrochemical etching. The separation between the W-tip and the substrate was kept... 

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,... 

Electric field sensors are one of the common types of sensors that are widely used today to record changes in the electric field in underwater environments, also record pH changes in different materials. This type of sensor is inspired by the shark mucous membrane. In this study, silver / silver chloride silver (Ag / AgCl) was used for three methods of silver filtration directly in electrolyte containing chloride ion, Electrophoretic electrode method and electrode making method using silver oxide adhesive. Part of the electrodes manufacturing method involves converting part of silver into silver chloride. The made electrode has a length of 7 cm and a diameter of 0.5 mm, with its core made of... 

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.%... 

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... 

In the last half century, the recording of the electrophysiological activities of the neurons has been one of the most effective methods for neuroscience development. One of the techniques used to record the activity of the nerve cells is the use of multi-electrode arrays (MEAs). Current MEAs still face limitations such as low signal-to-noise ratio (SNR) and low spatial resolution. There is a need to develop arrays that are smaller in size and have less impedance to achieve better spatial resolution and lower noise levels. The main focus of this research is on the designing and fabrication of multi-electrode arrays and improvement of their properties using nanostructures and conductive... 

This investigation presents synthesis and characterization of pure and monophasic hydroxyapatite (Ca10(PO4)6(OH)2; HA) Nanostructures prepared by coral and oyster shell powders heated at 800 oC for 8 h as precursor via precipitation method. The morphology of HA nanostructures was controlled in the presence of various surfactants such as SDS, CTAB and PVP. The HA Nanorods synthesized by SDS were applied to fabricate bone scaffolds. Particle sizes of the HA Nanoparticles were about 20-30 nm. Pours three-dimensional HA/Ge/CMC scaffolds cross-linked by citric and oxalic acids were synthesized. In order to increase the pore size of the scaffolds, NaCl with medium (180-250 µm) and large (420-500...