Related papers: Peeling of multilayer graphene generates complex i…
This article reviews progress in the theoretical modelling of the electronic structure of rotationally faulted multilayer graphenes. In these systems the crystallographic axes of neighboring layers are misaligned so that the layer stacking…
Multilayered van der Waals structures often lack periodicity, which difficults their modeling. Building on previous work for bilayers, we develop a tight-binding based, momentum space formalism capable of describing incommensurate…
The mechanical and electronic properties of a graphene membrane placed on top of a superlattice of nanopillars are investigated. We use molecular dynamics (MD) simulations to access the deformation fields and the tight-binding approaches to…
The wettability of monolayer and multilayer graphene remains a topic of longstanding debate. Here, we combined first-principles molecular dynamics simulations accelerated with the atomic cluster expansion machine learning interatomic…
A plethora of two-dimensional (2D) materials entered the physics and engineering scene in the last two decades. Their robust, membrane-like sheet permit -- mostly require -- deposition, giving rise to solid-solid dry interfaces whose bodily…
The method of molecular dynamics and molecular mechanics has been used to numerically simulate the formation of wrinkle systems during compression of a graphene sheet lying on a flat solid substrate. It is shown that under uniaxial…
$\alpha$-graphyne is a two-dimensional sheet of $sp$-$sp^2$ hybridized carbon atoms in a honeycomb lattice. While the geometrical structure is similar to that of graphene, the hybridized triple bonds give rise to electronic structure that…
The interlayer van der Waals interaction in twisted bilayer graphene (tBLG) induces both in-plane and out-of-plane atomic displacements showing complex patterns that depend on the twist angle. In particular, for small twist angles, within…
Modeling of wrinkles and folds formation in single and multilayer graphene sheets lying on flat deformable (polymer) substrates has been carried out. It is shown that the deformability of the substrate leads to the appearance of significant…
The impact of van der Waals interaction on the electronic structure between a pentacene monolayer and a graphite surface was investigated. Upon cooling the monolayer, newly formed dispersive bands, showing the constant final state nature…
The van der Waals heterostructures are a fertile frontier for discovering emergent phenomena in condensed matter systems. They are constructed by stacking elements of a large library of two-dimensional materials, which couple together…
The collective excitations of electrons in the bulk or at the surface, namely plasmons, play an important role in the properties of materials, and have generated the field of plasmonics. We report the observation of a highly unusual plasmon…
Many recent advances in our understanding of two-dimensional (2D) electron systems stem from van der Waals (vdW) heterostructures. The assembly process relies on the weak bonding across interfaces between layered vdW compounds, making it…
Achieving structural superlubricity in graphitic samples of macro-scale size is particularly challenging due to difficulties in sliding large contact areas of commensurate stacking domains. Here, we show the presence of macro-scale…
The formation of periodic wrinkles in soft layered materials due to mechanical instabilities is prevalent in nature and has been proposed for use in multiple applications. However, such phenomena have been explored predominantly in…
Controlled stacking of van der Waals materials is a powerful tool for exploring the physics of quantum condensed matter. Given the small binding between layers, exploitation for engineering will require a breakthrough in stacking…
Graphene's intrinsically corrugated and wrinkled topology fundamentally influences its electronic, mechanical, and chemical properties. Experimental techniques allow the manipulation of pristine graphene and the controlled production of…
Direct, tunable coupling between individually assembled graphene layers is a next step towards designer two-dimensional (2D) crystal systems, with relevance for fundamental studies and technological applications. Here we describe the…
The ripplocation is a crystallographic defect which is unique to layered materials, combining nanoscale delamination with the crystallographic slip of a basal dislocation. Here, we have studied basal dislocations and ripplocations, in…
Two-dimensional (2D) materials are among the most studied ones nowadays, because of their unique properties. These materials are made of, single- or few atom-thick layers assembled by van der Waals forces, hence allowing a variety of…