Related papers: Molecular Dynamics Study of the Mechanical Behavio…
Recently, alternating twist multilayer graphene (ATMG) has emerged as a family of moir\'e systems that share several fundamental properties with twisted bilayer graphene, and are expected to host similarly strong electron-electron…
In this thesis we will focus on a particular variant of few-layer graphene -- ABA-stacked trilayer graphene. Bernal (ABA) stacked trilayer graphene (TLG) is a multiband system consisting of a pair of Dirac-like massless linear bands and a…
Atomically thin sheets, such as graphene, are widely used in nanotechnology. Recently they have also been used in applications including kirigami and self-folding origami, where it becomes important to understand how they respond to…
We discuss Molecular Dynamics (MD) computer simulations of tetracosane (C24H50) monolayer physisorbed onto a graphite surface. The alkane molecules are simulated with explicit hydrogens, and the graphite substrate is represented as an…
We investigate the stability of circular monolayer graphene subjected to a radial load using non-equilibrium molecular dynamics simulations. When monolayer graphene is radially stressed, after some small circular strain ($\sim 0.4%$) it…
The mechanical behaviour of graphene flakes under both tension and compression is examined using a cantilever-beam arrangement. Two different sets of samples were employed involving flakes just supported on a plastic bar but also embedded…
The deformation and fracture behaviour of one-atom-thick mechanically exfoliated graphene has been studied in detail. Monolayer graphene flakes with different lengths, widths and shapes were successfully prepared by mechanical exfoliation…
Me-graphene (MeG) is a novel two-dimensional (2D) carbon allotrope. Due to its attractive electronic and structural properties, it is important to study the mechanical behavior of MeG in its monolayer and nanotube topologies. In this work,…
Atomistic first principles many-body computational studies were so far limited by the system size. In this work, we apply and expand the stochastic GW method allowing calculations of quasiparticle energies of giant systems. We introduce…
Multilayer graphene (MLG) thin films are deposited on silicon oxide substrates by mechanical exfoliation (or 'scotch-tape method') from Kish graphite. The thickness and number of layers are determined from both Atomic Force Microscopy (AFM)…
Recently, a new 2D carbon allotrope structure, named phagraphene (PG), was proposed. PG has a densely array of penta-hexa-hepta-graphene carbon rings. PG was shown to present low and anisotropic thermal conductivity and it is believed that…
Transport measurements on few layer graphene (FLG) are important as they interpolate between the properties of single layer graphene (SLG) as a true 2-dimensional material and the 3-dimensional bulk properties of graphite. In this article…
One popular approach to prepare graphene is to grow them on transition metal substrates via chemical vapor deposition. By using the density functional theory with dispersion correction, we systematically investigate for the first time the…
We investigate the in-plane oscillations of the relaxed shape graphene due to externally applied tensile edge stress along both the armchair and zigzag directions. We show that the total elastic energy density is enhanced with temperature…
Imposing incommensurable periodicity on the periodic atomic lattice can lead to complex structural phases consisting of locally periodic structure bounded by topological defects. Twisted trilayer graphene (TTG) is an ideal material platform…
The mechanical behavior of graphitic materials is greatly affected by the weak interlayer bonding with van der Waals forces for a range of thickness from nano to macroscale. Herein, we present a comprehensive study of the effect of layer…
In twisted bilayer graphene (TBLG), extremely small deviations from the magic twist angle $\theta_m{\approx}1.08^\circ$ change its electronic structure near the Fermi level drastically, causing a meV-wide flat band to appear or disappear.…
We demonstrate a reliable technique for counting atomic planes (n) of few-layer graphene (FLG) on SiO2/Si substrates by Raman spectroscopy. Our approach is based on measuring the ratio of the integrated intensity of the G graphene peak and…
Recent intensive research on two-dimensional materials (2DMs) rekindle the interest in the intercalation of various atoms and molecules into layered compounds as a tool to manufacture 2DMs and tune their optoelectronic, magnetic and…
The electronic transport properties of epitaxial monolayer graphene (MLG) and hydrogen-intercalated quasi free-standing bilayer graphene (QFBLG) on SiC(0001) are investigated by micro multi-point probes. Using a probe with 12 contacts, we…