相关论文: Corrugation-dominated mechanical softening of defe…
Understanding electron irradiation effects is vital not only for reliable transmission electron microscopy characterization, but increasingly also for the controlled manipulation of two-dimensional materials. The displacement cross sections…
Two-dimensional carbon, or graphene, is a semi-metal that presents unusual low-energy electronic excitations described in terms of Dirac fermions. We analyze in a self-consistent way the effects of localized (impurities or vacancies) and…
The remarkable electronic properties of graphene have fueled the vision of a graphene-based platform for lighter, faster and smarter electronics and computing applications. One of the challenges is to devise ways to tailor its electronic…
Recent dramatic progress in studying various two-dimensional (2D) atomic crystals and their heterostructures calls for better and more detailed understanding of their crystallography, reconstruction, stacking order, etc. For this, direct…
The effect of a varying pseudo-magnetic field, which falls as $1/x^2$, on a two dimensional electron gas in graphene is investigated. By considering the second order Dirac equation, we show that its correct general solution is that which…
Quantum transport properties of disordered graphene with structural defects (Stone-Wales and divacancies) are investigated using a realistic {\pi}-{\pi}* tight-binding model elaborated from ab initio calculations. Mean free paths and…
The geometry of two-dimensional crystalline membranes dictates their mechanical, electronic and chemical properties. The local geometry of a surface is determined from the two invariants of the metric and the curvature tensors. Here we…
Random vacancies in a graphene monolayer induce defect states that are known to form a narrow impurity band centered around zero energy at half-filling. We use a space-resolved formulation of the quantum metric and establish a strong…
Using atomistic computer simulations, we study how ion irradiation can be used to alter the morphology of a graphene monolayer by introducing defects of specific type, and to cut graphene sheets. Based on the results of our analytical…
The correlation between structural distortion and emergence of magnetism in graphene containing a single vacancy was investigated using first-principles calculations based on density functional theory (DFT). Our results have shown that a…
Void defect is a possible origin of ferromagnetic like feature of pure carbon material. Applying density functional theory to void defect induced graphene nano ribbon (GNR), a detailed relationship between multiple spin state and structure…
Many of the proposed future applications of graphene require the controlled introduction of defects into its perfect lattice. Energetic ions provide one way of achieving this challenging goal. Single heavy ions with kinetic energies in the…
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,…
A formalism is proposed to study the electronic and transport properties of graphene sheets with corrugations as the one recently synthesized. The formalism is based on coupling the Dirac equation that models the low energy electronic…
Single layer graphene foils produced by Chemical Vapor Deposition (CVD) are rolled with self-positioned layers of InGaAs/Cr forming compact multi-turn tubular structures that consist on successive graphene/metal/semiconductor…
Results from first principles density functional theory (DFT) calculations and classical molecular dynamics (CMD) simulations are presented on moire-corrugation of graphene (gr). We find that the moire-corrugated graphene could be…
We address the electronic structure and magnetic properties of vacancies and voids both in graphene and graphene ribbons. Using a mean field Hubbard model, we study the appearance of magnetic textures associated to removing a single atom…
Defects and reconstructions in 2D moir\'e materials cause out-of-plane deformations which strongly modify their electronic properties but are difficult to experimentally access. Here, we solve the 3D atomic coordinates of twisted bilayer…
We have studied the incommensurate moir\'e structure of epitaxial graphene grown on iridium(111) by dynamic low energy electron diffraction [LEED-I(V)] and non-contact atomic force microscopy (AFM) with a CO terminated tip. Our LEED-I(V)…
Density functional calculations are employed to study the molecular dissociation of hydrogen on graphene, the diffusion of chemisorbed atomic species, and the electronic properties of the resulting hydrogen on graphene system. Our results…