Related papers: Structure-Sensitive Mechanism of Nanographene Fail…
We study theoretically the equilibrium structure, as well as the response under external load, of characteristic carbon-based materials. The materials considered include diamond, amorphous carbon (a-C), ``amorphous diamond'' and…
Finite-temperature properties of graphene monolayers under tensile stress have been studied by path-integral molecular dynamics (PIMD) simulations. This method allows one to consider the quantization of vibrational modes in these…
The difficulty in determining the mass of a sample increases as its size diminishes. At the nanoscale, there are no direct methods for resolving the mass of single molecules or nanoparticles and so more sophisticated approaches based on…
The precise measurement of mechanical stress at the nanoscale is of fundamental and technological importance. In principle, all six independent variables of the stress tensor, which describe the direction and magnitude of…
We observe mechanical effects of an exfoliated graphene monolayer deposited on a quartz crystal substrate designed to operate as an extremely low-loss bulk-acoustic-wave cavity at liquid-helium temperature.This is achieved by sensing…
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…
Graphene (GR) remarkable mechanical and electrical properties - such as its Young's modulus, low mass per unit area, natural atomic flatness and electrical conductance - would make it an ideal material for micro and nanoelectromechanical…
Graphene can at present be grown at large quantities only by the chemical vapor deposition method, which produces polycrystalline samples. Here, we describe a method for constructing realistic polycrystalline graphene samples for atomistic…
Nanoelectromechanical systems (NEMS) constitute a class of devices lying at the interface between fundamental research and technological applications. Integrating novel materials such as graphene into NEMS allows studying their mechanical…
The configuration of graphene (GE) sheet conforming to the spherical surface substrate is studied through theoretical model and molecular simulations. Two basic configurations are observed: fully conformation and wrinkling. The final…
Approach-to-equilibrium molecular dynamics simulations have been used to study thermal transport in nanocrystalline graphene sheets. Nanostructured graphene has been created using an iterative process for grain growth from initial seeds…
The current paper presents the third part of the study devoted to composites formed by fullerene C60 and two graphene nanosheets ([C60+(5,5)] and ([C60+(9, 8)] graphene nanobuds). The formation of composites is considered from the basic…
The eigenmodes and the vibrational density of states of the ground state configuration of graphene clusters are calculated using atomistic simulations. The modified Brenner potential is used to describe the carbon-carbon interaction and…
We use an atomic force microscope (AFM) to manipulate graphene films on a nanoscopic length scale. By means of local anodic oxidation with an AFM we are able to structure isolating trenches into single-layer and few-layer graphene flakes,…
In this work, we have studied the chemical and magnetic interactions of Fe$_n$ ; n=1-6 clusters with vacancy defects (monovacancy to correlated vacancies with six missing C atoms) in a graphene sheet by ab-initio density functional…
MXene-based heterostructures have received considerable interest owing to their unique properties. Herein, we examine various heterostructures of a prototypical MXene and graphene using density functional theory. We find that the adhesion…
Electrically manipulating the quantum properties of nano-objects, such as atoms or molecules, is typically done using scanning tunnelling microscopes and lateral junctions. The resulting nanotransport path is well established in these model…
Graphene is an ideal material for hot-electron bolometers, due to its low heat capacity and weak electron-phonon coupling. Nanostructuring graphene with quantum dot constrictions yields detectors with extraordinarily high intrinsic…
We report total-energy calculations based on the density-functional theory that clarify microscopic mechanisms of initial stage of graphene formation on the SiC(0001) surface. We explore favorable reactions for desorption of either Si or C…
Nanocluster impact on a free-standing graphene is performed by the molecular dynamics simulation, and the dynamical motion of the free-standing graphene is investigated. The graphene is bended by the incident nanocluster, and a transverse…