Sharif Digital Repository

In this thesis we would like to investigate structural disorder of Graphene and its effect on electronic properties. Graphene is a one-layer crystal of Carbon atoms which was the first two dimensional crystal observed experimentally. Low energy current carriers on Graphene behave like mass-less Dirac fermions and this interesting electronic property attracts much attention on studying Graphene. Structural disorder of Graphene highly affects its electronic properties. We study thermal fluctuations of Graphene sheet, disorder super lattice, and static ripples, as structural disorders of Graphene. Disorders due to thermal fluctuations of graphene induce a disordered gauge field on the graphene... 

The unique properties of graphene due to the presence of massless Dirac fermions, high surface to volume ratio, high crystal quality in 2D, and high mechanical strength, recommend it as a promising material for technologies such as nanoelectromechanical systems (NEMS) and nanosensors. Use of graphene in nanodevices is accompanied by induced strains and stresses. Therefore it is important to study the mechanical properties of graphene. In present thesis, we synthesized graphene using both mechanical cleavage of graphite and chemical method. In the chemical method graphene oxide is prepared by oxidation and exfoliation of graphite. The graphene oxide sheets were reduced to prepare graphene... 

In this thesis, adsorption of Carbon monoxide and Hydrogen on graphene, by DFT calculation has been studied. Also effect of strain on some electrical properties, such as band structure, electrical conductivity and Density of states, for pristine graphene and adsorption CO and H2 on it has been probed. This results show that with strain up to 12% on pristine graphene , we won’t have any band gap on Fermi surface and energy adsorption for Carbon monoxide on strained graphene (up 12%) increase up 400 per cent. Also for strained graphene (12%) on Carbon monoxide adsorption condition we will have energy band gap almost a few electron volt on Fermi surface. In general this results express... 

WO3 is known as a photocatalyst in the visible light region, but with lower efficiency compared to more interesting semiconductor photocatalysts such as TiO2 and ZnO. Many attempts have been done to increase the efficiency of this photocatalyst by incorporating metal and metal oxide nanoparticles or recently carbon nanotubes.On the other hand, application of graphene, as an unrolled carbon nanotube, for increasing the photocatalytic activity of TiO2 and ZnO has shown positive results. Furthermore, it was reported that such semiconductor photocatalysts (and very recently WO3) can photocatalytically reduce the chemically exfoliated graphene oxide sheets under UV-vis irradiation.
In this... 

Graphene is a one layer atom thickness and zero energy gap so for using it in nano electronic and transistors baised on graphene it's energy gap should be opened.one of the methods for opening graphene band gap is creating nano scale boundaries or synthesize graphene nanoribbons. One of the new methods for graphene nanoribbon synthesize is longitudinal opening of carbon nanotube. In this thesis graphene nanoribbons synthesize with this method and analyze with AFM and Raman spectroscopy. Carbon nanotubes also have energy gap and IR absorption recently they used for living cell destruction. In this thesis we synthesize graphene nanoribbons and analyzing their optical absorption and use it for... 

Vibration is one of the most important factors in design, operation and lifetime of drill strings. There for, investigation of vibrations in drill string, like every other rotary machine, is very important. The main goal of this research is developing a nonlinear model for a drill string system dynamics in an inclined well. Effects of drilling mud flow rate, weight on bit, angular velocity along with viscous damping, on the stability and vibration of a drill string are studied. Dynamic equation of the model is developed considering axial displacement and lateral bending geometric nonlinear coupling. The effect of drilling mud flow is modeled using Paidoussis formulations. Equation of motion... 

Graphene, the newborn nanomaterial whose unique properties has extensively drawnattention of many scientists in the recent years, is an ideal candidate for sensing applications due to its exclusive properties like extremely high specific surface area, excellent electrical conductivity, andcapability of being easily functionalized. In this research, after reviewing the attempts already performed on detection of DNA, in order to detect the four bases of DNA (G, A, T, and C) via electrochemical approach, graphene nanosheets were synthesized by the popular Hummer’s method and were deposited on a graphite rod by electrophoretic deposition with a vertical preferred orientation. To eliminate the... 

Graphene is one of the most attractive subjects for scientists in the last decade. Its unique properties has been probed by many research groups and innumerable projects have been developed to investigate applications of graphene in electronics, mechanics, biophysics etc. Due to high surface to volume ratio and magnificent electron mobility in graphene, it is a suitable candidate for gas sensing. This has been proved by several theoretical and experimental researches for various gases such as CO, NH3 and NO2 etc. In present thesis, graphene has been prepared chemically and transferred to silicone substrates that are previously coated with a 300 nanometer silicone dioxide layer, by dip... 

TiO2 is known as a photocatalyst in near UV-Visible light region with better efficiency compared to other semiconductor photocatalysts. Many attempts have been done to increase the efficiency of this photocatalyst. also, application of 2D carbon nanostructures namely graphene for increasing the photocatalytic activity of TiO2 has shown positive results.
In this research, we first synthesized Graphene Oxide (GO) suspension by exfolation of graphite oxide suspension. then we fabricated TiO2 thin films on glass substrates by so-called sol-gel method. finally we fabricate Graphene Oxide/TiO2 nanowalls composite films as a photocatalyst in visible light. X-ray photoelectron spectroscopy... 

In this thesis, we present for the first time a unified and extensive theory of two-dimensional bipolar junction transistors fabricated on mono-layer materials. Unlike their bulk counterparts which are described by the conventional theory of bulk junctions, the proposed class of structures behaves here significantly different and needs an entirely different theory. This has been based on the theory of planar p-n rectifying junction diodes developed in an earlier study of ours, where we had investigated a basic p-n junction model with abrupt doping profile. The accuracy of theory is limited to the applicability of drift-diffusion model with depletion-layer approximation, while disregarding... 

Due to high cost and ineffectiveness of molecular models a new method for coupling continuum models with molecular models is used. In this method, the continuum and molecular domains are overlapped. Comparing the results obtained from the concurrent simulations and molecular dynamic simulations proves the accuracy of the method used. The method is used for modeling single layered graphene sheets, stress contours are presented for multiscale and both static and dynamic simulations of concurrent. For multiscale simulations two different carbon nano tubes are investigated and strees-bond angle and strees-bond length are also presented  

Graphene nanogrids fabricated by graphene nanoribbons obtained through oxidative unzipping of multi-walled carbon nanotubes, used as two-dimensional selective templates for accelerated differentiation of human mesenchymal stem cells (hMSCs), isolated from umbilical cord blood, into osteogenic lineage. The biocompatible and hydrophilic graphene nanogrids showed high actin cytoskeleton proliferations that coinciding with patterns of the nanogrids. The amounts of proliferations found are slightly better than proliferation on hydrophilic graphene oxide (GO) sheets, and significantly higher than non-uniform proliferations on hydrophobic reduced graphene oxide (rGO) sheets and polydimethylsiloxane... 

In the present research, we have applied reverse non-equilibrium molecular dynamics (RNEMD) to investigate the thermal conductivity (λ) of carbon nanotube (CNT) bundles, CNT-polyamide (PA) nanocomposites, and nanoconfined PA in the vicinity of graphene layers. First, transversal heat transport in CNT bundles with and without intertube chemical bonds are examined. It is found that the transversal λ of samples with cross linkers can surprisingly increase ~9 times than that of neat CNT bundles (0.26 W m-1K-1). According to the simulation results, key parameters are overlapping vibrational density of state (DOS) profiles between the atoms forming the bridging units, cross linker in the direction... 

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... 

During the last decade, thanks to a combination of exploding computational power and improved physical insight into material behavior, continuum and atomistic simulations improved greatly. Both classes of methods are now used to solve problems, which are more complicated than ever with greater accuracy than ever before. Nevertheless, there still exist problems for which neither method alone is sufficient. In general, atomistic simulations cannot be used for such length scales due to the restrictions on the number of atoms that can be simulated, along with the time scales, which they can be simulated for. In contrast, continuum simulations tend to fail at the atomic scale, for example due to... 

In this dissertation, some computational operators are designed and simulated using plasmonic metastructures. Superiority of graphene over its plasmonics counterparts in terms of exceptional features such as tunability, thinness, and also highly confined graphene plasmons intrigued us to employ graphene-based meta-transmit-array for designing efficient devices in the infrared regime. First off, we propose a transmit-array of metasurfaces containing subwavelength graphene ribbons and evaluate the structure capability in full controlling over amplitude and phase of the impinging wave locally. By considering optics nanocircuits concept, an equivalent admittance is assigned to each metasurface... 

Graphene is a two dimensional lattice which is created from carbon atoms. Having special feature, it has such various medical usage, for example in diagnosing and treating cancer. Adding a particular factor to graphene could improve their efficiency. In comparis on with graphene itself, graphene oxide and reduced graphene oxide are much more successful in diagnosing and treating than others because of their higher hygroscopic. Recent studies state that hydrogenized combinations including hydrogenized graphene show desired results. Due to its higher hygroscopic and the possibility of adherence to the cells, hydrogenized graphene could be very effective in diagnosing and treating the sarcomas.... 

In recent years carbon nanotubes and other carbon nanostructures such as graphene sheets have attracted a lot of attention due to their unique mechanical, thermal and electrical properties. These structures can be used in desalination of sea water, removal of hazardous substances from water tanks, gases separation, and so on. The nano porous single layer graphene membranes are very efficient for desalinating water due to their very low thickness. In this study, the mechanism of passing water and salt ions through nano porous single-layer graphene membrane are simulated using classical molecular dynamics. In the simulation, in order to separate salt ions from the water, the effects of applied... 

In this thesis, we simulate and investigate two transistors which both have tunneling FET (TFET) structure but the channel in the first one is graphene nanoribbon (GNR) and in the second one is a monolayer of phosphorene (PML). To describe the quantum systems of the transistors, we use the tight binding method and its models for the channel materials. In case of the PML TFET, based on the behavior of the phosphorene nanoribbon in different widths, we obtain a proper amount for the width to model the infinite-width channel. To extract the channel quantum transport, the Schrodinger-Poisson equations are self-consistently solved. In the next step, we simulate the GNR TFET and present the... 

Graphene is a semiconductor with zero band gap. Due to electron ballistic transportation and having a single atom thickness of graphene, it is counted as an ideal material in Nano-electronic industry and essential candidate for fabrication of next generation of transistors. The Fermi level in graphene is located between Conduction and valance bands in a Dirac point. Due to low resistance, graphene has a substantial sensitivity near the Dirac point to local carrier density changes. This feature makes delicate detection of electromagnetic waves and gas sensing by graphene field effect transistors (GFETs). In this thesis, fabrication and characterization of graphene field effect transistor on...