Related papers: Peeling of multilayer graphene generates complex i…
Adhesive peeling of a thin elastic film from a substrate is a classic problem in mechanics. However, many of the investigations on this topic to date have focused on peeling from substrates with flat surfaces. In this paper, we study the…
Delamination of coatings and thin films from substrates generates a fascinating variety of patterns, from circular blisters to wrinkles and labyrinth domains, in a way that is not completely understood. We report on large-scale numerical…
Graphite occurs in a range of metastable stacking orders characterized by both the number and direction of shifts between adjacent layers by the length of a single carbon-carbon bond. At the extremes are Bernal (or ``ABAB...'') stacking,…
The folding of paper, hide, and woven fabric has been used for millennia to achieve enhanced articulation, curvature, and visual appeal for intrinsically flat, two-dimensional materials. For graphene, an ideal two-dimensional material,…
We analyze the effect of twists on the electronic structure of configurations of infinite stacks of graphene layers. We focus on three different cases: an infinite stack where each layer is rotated with respect to the previous one by a…
Sliding-induced topological transitions in biphenylene bilayers are investigated, considering various stacking configurations which are analyzed from a symmetry perspective and described in detail,highlighting the intricate patterns of…
Van der Waals (vdW) heterostructures ---formed by stacking or growing two-dimensional (2D) crystals on top of each other--- have emerged as a new promising route to tailor and engineer the properties of 2D materials. Twisted bilayer…
Graphene monolayers supported on oxide substrates have been demonstrated with superior charge mobility and thermal transport for potential device applications. Morphological corrugation can strongly influence the transport properties of the…
Graphene is susceptible to morphological instabilities such as wrinkles and folds, which result from the imposition of thermo-mechanical stresses upon cooling from high temperatures and/ or under biaxial loading. A particular pattern…
This article studies the fundamental problem of separating two adhesive elastic fibers based on numerical simulation employing a recently developed finite element model for molecular interactions between curved slender fibers. Specifically,…
Controlling the stacking and rotational registry of graphene layers provides a powerful handle on atomic-scale structural reconstructions that alter the electronic landscape at the nanoscale. In particular, this governs how massless and…
Research on two-dimensional van der Waals materials has demonstrated that the layer degree of freedom can significantly alter the physical properties of materials due to the substantial modification of bulk bands. Inspired by this concept,…
Cracking and peeling of a layer of clay on desiccation has been simulated using a spring model. A vertical section through the layer with finite thickness is represented by a rectangular array of nodes connected by linear springs on a…
We investigate bilayer graphene systems with layer switching domain walls separating the two energetically equivalent Bernal stackings in the presence of an external magnetic field. To this end we calculate quantum transport and local…
A crystalline solid is a periodic sequence of identical cells, each containing one or more atoms. If the constituting unit cell is not centrosymmetric, charge may distribute unevenly between the atoms, resulting in internal electric…
Graphene monolayer, with extremely low flexural stiffness, displays spontaneous rippling due to thermal fluctuations at a finite temperature. When a graphene membrane is placed on a solid substrate, the adhesive interactions between…
We have studied two interchange layer systems, (i) free standing partly hydrogenated graphene (graphone), and (ii) graphone on the Nickel (111) surface, to assess various density functional theory based computational schemes incorporating…
Stability and electronic properties of atomic layers of GaN are investigated in the framework of the van der Waals-density functional theory. We find that the ground state of the layered GaN is a planar graphene-like configuration rather…
The role of interlayer bonds in the two-dimensional (2D) materials "beyond graphene" and so-called van der Waals heterostructures is vital, and understanding the nature of these bonds in terms of strength and type is essential due to a wide…
From atomic crystals to macroscopic material structures, twisted bilayer systems have emerged as a promising route to control wave phenomena. In few-layer van der Waals (vdW) materials, however, the intrinsically weak interlayer coupling…