Sharif Digital Repository

We present two compact analytic formulae for calculating the channel number in graphene nanoribbons (GNRs), in terms of GNRs' width and Fermi energy. Numerical data obtained from these analytic formulae fit those obtained numerically from the exact formula, with accuracies within 1%. Using appropriate fit parameters, the compact formulae are valid for zigzag, armchair-metallic, and armchair-semiconducting GNRs, at room, liquid nitrogen, and liquid helium temperatures (i.e. 300, 77 and 4.2 K)  

In this work, spin transport in corrugated armchair graphene nanoribbons (AGNRs) is studied. We survey combined effects of spin-orbit interaction and surface roughness, employing the non-equilibrium Green's function formalism and multi-orbitals tight-binding model. Rough substrate surfaces have been statistically generated and the hopping parameters are modulated based on the bending and distance of corrugated carbon atoms. The effects of surface roughness parameters, such as roughness amplitude and correlation length, on spin transport in AGNRs are studied. The increase of surface roughness amplitude results in the coupling of σ and π bands in neighboring atoms, leading to larger spin... 

In this paper the band structure of spin polarized zigzag graphene nanoribbons(ZGNRs) and armchair graphene nanoribons(AGNRs) with Stone-Wales defect are investigated. The results show when the spin effect is considered, the band structures of ZGNRs and AGNRs will be changed and modified. A larger gap will be created and the degenerate bands in ZGNRs will become far from each other. Tight-binding and hubard model were used to simulate the band structures  

In this study, sandwich beam model (SM) is proposed for free vibration analysis of bilayer graphene nanoribbons (BLGNRs) with interlayer shear effect. This model also takes into account the intralayer (in-plane) stretch of graphene nanoribbons. The molecular dynamics (MD) simulations using the software LAMMPS and Adaptive Intermolecular Reactive Empirical Bond Order (AIREBO) potential are done to validate the accuracy of the sandwich model results. The MD simulation results include the two first frequencies of cantilever BLGNRs with different lengths and two interlayer shear moduli, i.e., 0.25 and 4.6GPa. These two interlayer shear moduli, 0.25 and 4.6GPa, can be obtained by sliding a small... 

In this paper, for the first time, we present a computational study on electrical characteristics of field effect tunneling transistors based on a vertical graphene-WS2 heterostructure and vertical graphene nanoribbon (GNR)-WS2 heterostructure (VTGNRFET). Our model uses the nonequilibrium Green's function formalism along with an atomistic tight binding (TB) method. The TB parameters are extracted by fitting the bandstructure to first principles results. We show that, due to the advantage of switching between tunneling and thermionic transport regimes, an improvement can be achieved in the electrical characteristics of the device. We find that the increase of the number of WS2 layers enhances... 

Graphene, a recently discovered form of carbon, has received much attention for possible applications in nanoelectronics, due to its excellent carrier transport properties [1]. Graphene nanoribbons (GNRs) are thin strips of graphene, where the electronic properties depend on the chirality of the edge and the width of the ribbon. Zigzag GNRs (ZGNRs) show metalic behavior, whereas armchair GNRs (AGNRs) are semiconductors and their band-gap is inversely proportional to their width [2]. Therefore, narrow AGNRs have been recently suggested as a material for transistor channels. However, line edge roughness and substrate impurities can significantly degrade the ballistic transport in AGNRs,... 

The present paper demonstrates the capability of narrow graphene nanoribbons (GNRs) in constructing new sensing platforms. Graphene nanoribbons have been synthesized via a simple solvothermal route through unzipping of carbon nanotubes, which was confirmed by scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD) and Raman spectroscopy analysis. These narrow carbon sheets were used to form a composite film by in-situ electro-polymerization with aniline. The produced graphene nanoribbon/polyaniline (GNR/PANI) composite film showed impressive performance in electrochemical determination of dobutamine (DBT). Under optimal conditions, in comparison to... 

Our aim is to improve the switching performance of the graphene nanoribbon field-effect transistors (GNRFETs), exploiting the concept of energy filtering. Within the proposed scheme, a superlattice (SL) structure is used in the source of the transistor for filtering high-energy electron tail by engineering the density of states (DOS). According to simulation results, this can significantly decrease the OFF-current and the subthreshold swing (SS). A comparison of the proposed device with a conventional GNRFET and a graphene nanoribbon (GNR) tunneling field-effect transistor (GNRTFET) demonstrates a significant improvement. Therefore, a typical SL-GNRFET can reduce the average and the minimum... 

Graphene nanoribbons (GNRs) fabricated using electron beam lithography are investigated using tip-enhanced Raman spectroscopy (TERS) with a spatial resolution of 5 nm under ambient conditions. High-resolution TERS imaging reveals a structurally modified 5-10 nm strip of disordered graphene at the edge of the GNRs. Furthermore, hyperspectral TERS imaging discovers the presence of nanoscale organic contaminants on the GNRs. These results pave the way for nanoscale chemical and structural characterisation of graphene-based devices using TERS. © The Royal Society of Chemistry 2021  

Electronic and transport properties of 11 zigzag graphene nanoribbons (11-z-GNRs) with two types of 3D-paired pentagon-heptagon defects (3D-PPHDs) are studied using density functional theory combined with non-equilibrium Green's function method. The C ad-dimers that have been introduced to z-GNRs to form these 3D-PPHDs have induced local strains forcing the C-bonds in the ad-dimers to hybridize in sp3-like rather than sp2-like orbitals. Such transformations that cause extra electrons to accumulate around the 3D-PPHDs are responsible for the variations in the electronic and transport properties of the defected z-GNRs. Density of states (DOS) for 11-z-GNRs containing either type of 3D-PPHDs,... 

Graphene nanogrids (fabricated by graphene nanoribbons obtained through oxidative unzipping of multi-walled carbon nanotubes) were 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 coinciding with patterns of the nanogrids. The amounts of proliferations were found 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... 

We report a first principles study on the electronic and transport properties of bilayer armchair graphene nanoribbons (BLAGNRs) containing Stone-Wales (SW) defect. It is shown that in the presence of SW defect in BLAGNRs, some electron localization occurs in defect atoms and degradation of transmission is observed in specific energy regions. The strength of electron localization is dependent on the symmetry of SW defect. In case of symmetric SW defect, stronger electron localization leads to sharper dip in its transmission spectrum in comparison with the broad dip in the transmission spectrum of the BLAGNR containing asymmetric SW defect. The effect of electron localization is also evident... 

Following our recent study on the electronic properties of rough nanoribbons , in this paper the role of geometrical and roughness parameters on the thermal properties of armchair graphene nanoribbons is studied. Employing a fourth nearest-neighbor force constant model in conjuction with the nonequilibrium Green's function method the effect of line-edge-roughness on the lattice thermal conductivity of rough nanoribbons is investigated. The results show that a reduction of about three orders of magnitude of the thermal conductivity can occur for ribbons narrower than 10 nm. The results indicate that the diffusive thermal conductivity and the effective mean free path are directly proportional... 

In this work, a new structure of single layer armchair graphene nanoribbon field effect transistor with the Stone–Wales (SW) defect (SWGNRFET) is studied. The simulations are solved with Poisson–Schrödinger equation self-consistently by using Non-Equilibrium Green Function (NEGF) and in the real space approach. The energy band structure is obtained by approximation tight-binding method. The results show that displacement of a defect in the width of the channel of the new structure is led to 50% increase in ION/IOFF ratio only by rotating of a C–C (Carbon–Carbon) bond with similar behavior. But, a remarkable increase of 300% in ION/IOFF ratio is obtained by a “dual center” defect. The results...