相关论文: Double- and Single-Sided bis-Functionalization of …
This work presents a systematic review of the feature-rich essential properties in graphene-related systems using the first-principles method. The geometric and electronic properties are greatly diversified by the number of layers, the…
We present a simple analytical approach to study anharmonic effects in single layer, bilayer, and multilayer graphene. The coupling between in plane and out of plane modes leads to negative Gr\"uneisen coefficients and negative thermal…
We present a tight-binding investigation of strained bilayer graphene within linear elasticity theory, focusing on the different environments experienced by the A and B carbon atoms of the different sublattices. We find that the…
We report the mechanical properties of different two-dimensional carbon heterojunctions (HJs) made from graphene and various stable graphene allotropes, including {\alpha}-, {\beta}-, {\gamma}- and 6612-graphyne (GY), and graphdiyne (GDY).…
Graphene is a two dimensional crystal of carbon atoms with fascinating electronic and morphological properties. The low energy excitations of the neutral, clean system are described by a massless Dirac Hamiltonian in (2+1) dimensions which…
Two-dimensional materials are popular in design of nanodevices. To improve bending stiffness of few-layered graphene ribbon, the relative sliding between neighboring layers should be avoided by method such as bonding them together. In this…
Buckling is one of the most common phenomena in atomic-thick layered structures like graphene. While the buckling phenomenon usually causes disaster for most nano-devices, we illustrate one positive application of the buckled graphene for…
Multilayer graphene with rhombohedral and Bernal stacking are supposed to be metallic, as predicted by density functional theory calculations using semi-local functionals. However recent angular resolved photoemission and transport data…
We investigate the electromechanical response of doubly clamped graphene nanoribbons to a transverse gate voltage. An analytical model is developed to predict the field-induced deformation of graphene nanoribbons as a function of field…
We theoretically argue that, in doped AB bilayer graphene, the electron-electron coupling can give rise to the spontaneous formation of fractional metal phases. These states, being generalizations of a more common half-metal, have a Fermi…
The surfactant assisted exfoliation and non-covalent functionalization of two-dimensional layered materials, like graphene, transition metal dichalcogenides, etc., has extraordinarily been propelled forward within the last 5 years. Numerous…
The effect of the SiO$_2$ substrate on a graphene film is investigated using realistic but computationally convenient energy-optimized models of the substrate supporting a layer of graphene. The electronic bands are calculated using…
Graphene is an emerging class of two-dimensional (2D) material with unique electrical properties and a wide range of potential practical applications. In addition, graphene hybrid structures combined with other 2D materials, metal…
We first demonstrate how two-dimensional sheets are incorporated in the formalism for planar structures. Then we derive the interaction in the geometry of two free-standing graphene sheets and of one graphene sheet above a substrate.…
We study the effect exerted by the electrons on the flexural phonons in graphene, accounting for the attractive interaction created by the exchange of electron-hole excitations. Combining the self-consistent computation of the phonon…
The 1+1 layer folded graphene sheets that deviate from AB stacking are successfully fabricated and their electronic structures are investigated by Raman spectroscopy. Significant blue shift of the 2D band of folded graphene compared to that…
We experimentally investigated the properties of graphite layers produced by an easy and non-conventional method of repeatedly rubbing conventional random stacked graphite bulk against insulating and semiconductor substrates. The patterned…
Both single layer Ga2O3 (SLGO) and graphene are attractive due to their respective electronic and mechanical properties such as wide bandgap and high electrical conductivity. Bringing them together by using van der Waals force to form a…
We study the band structure of phases induced by depositing bilayer graphene on a transition metal dichalcogenide monolayer. Tight-binding and low-energy effective Hamiltonian calculations show that it is possible to induce topologically…
Ultralow dimensionality of 2D layers magnifies their sensitivity to adjacent charges enabling even postprocessing electric control of multifunctional structures. However, functionalizing 2D layers remains an important challenge for…