相关论文: Attraction between topological defects in graphene

Formation of clusters of interlayer interstitial carbon atoms in graphite is studied by means of molecular dynamics simulation. It is shown that the deformation potential is attractive for interstitials located in one interlayer region and…

We study the atomic structure of twisted bilayer graphene, with very small mismatch angles ($\theta \sim 0.28^0$), a topic of intense recent interest. We use simulations, in which we combine a recently presented semi-empirical potential for…

Present study explores the observation of topological non-hexagonal rings (NHR) and Stone Wale (SW) defects by Raman experiments in both single (SLG) and multi-layer graphene (MLG) after they are irradiated with 100- 300 eV Ar ions.…

Graphene, being one-atom thick, is extremely sensitive to the presence of adsorbed atoms and molecules and, more generally, to defects such as vacancies, holes and/or substitutional dopants. This property, apart from being directly usable…

The presence of defects such as vacancies in solids has prominent effects on their mechanical properties. It not only modifies the stiffness and strength of materials, but also changes their morphologies. The latter effect is extremely…

We consider the role of deformations in graphene heterostructures with hexagonal crystals (including strain, wrinkles and dislocations) on the geometrical properties of moire patterns characteristic for a pair of two incommensurate…

Twisted bilayer graphene (TBG) exhibits a wide range of intriguing physical properties, such as superconductivity, ferromagnetism, and superlubricity. Depending on the twist angle, periodic moir\'e superlattices form in twisted bilayer…

Only one atom thick and not inclined to lattice defects, graphene represents the ultimate crystalline membrane. However, its structure reveals unique features not found in other crystalline membranes, in particular the existence of ripples…

Defects change essentially not only electronic but also chemical properties of graphene being centers of its chemical activity. Their functionalization is a way to modify electronic and crystal structure of graphene which may be important…

Understanding geometric frustration of ordered phases in two-dimensional condensed matters on curved surfaces is closely related to a host of scientific problems in condensed matter physics and materials science. Here we show how…

Understanding the reactivity of carbon surfaces is crucial for the development of advanced functional materials. In this study, we systematically investigate the reactivity of graphene surfaces with the Stone-Wales (SW) defect using Density…

Wrinkles in monolayer graphene (GN) affect the GN electronic and transport properties. Defined network of wrinkles can be reached by placing the GN on the substrate decorated with the nanoparticles (NPs). In order to explain mechanism…

We aim to understand how the van der Waals force between neutral adatoms and a graphene layer is modified by uniaxial strain and electron correlation effects. A detailed analysis is presented for three atoms (He, H, and Na) and graphene…

We study the binding of chlorine atoms to carbon nanotubes and graphene at a Stone-Wales defect and to the sidewalls of pristine nanotubes. We show using ab initio thermodynamics that if the environment is chlorine-rich enough, the…

Crystallographic defects play a key role in determining the properties of crystalline materials. The new class of two-dimensional materials, foremost graphene, have enabled atomically resolved studies of defects, such as vacancies, grain…

We consider lattice deformations (both continuous and topological) in the hexagonal lattice Hubbard model in the tight binding approximation to graphene, involving operators with the range up to next-to-neighbor. In the low energy limit, we…

The study of moir\'e engineering started with the advent of van der Waals heterostructures in which stacking two-dimensional layers with different lattice constants leads to a moir\'e pattern controlling their electronic properties. The…

Among many remarkable qualities of graphene, its electronic properties attract particular interest due to a massless chiral character of charge carriers, which leads to such unusual phenomena as metallic conductivity in the limit of no…

Van der Waals heterostructures composed of multiple few layer crystals allow the engineering of novel materials with predefined properties. As an example, coupling graphene weakly to materials with large spin orbit coupling (SOC) allows to…

Twisted bilayer graphene displays many fascinating properties that can be tuned by varying the relative angle (also called twist angle) between its monolayers. As a remarkable feature, both the electronic flat bands and the corresponding…