相关论文: Robust Superlubricity in Graphene/h-BN Heterojunct…
At dry and clean material junctions of rigid materials the corrugation of the sliding energy landscape is dominated by variations of Pauli repulsions. These occur when electron clouds centered around atoms in adjacent layers overlap as they…
Superlubricity is a frictionless tribological state sometimes occurring in nanoscale material junctions. It is often associated with incommensurate surface lattice structures appearing at the interface. Here, by using the recently…
A single graphene layer placed between two parallel Ni(111) surfaces screens the strong attractive force and results in a significant reduction of adhesion and sliding friction. When two graphene layers are inserted, each graphene is…
Solids at incommensurate contact display low-friction, 'superlubric', sliding. For graphene flakes on a graphite surface, superlubric sliding is only temporary due to rotation of the flakes from incommensurate to commensurate contact with…
Chemical and structural diversity present in hexagonal boron nitride ((h-BN) and graphene hybrid nanostructures provide new avenues for tuning various properties for their technological applications. In this paper we investigate the…
The structural similarity between hexagonal boron nitride (h-BN) and graphene nanoribbons allows for the formation of heterojunctions with small chain stress. The combination of the insulation nature of the former and the quasi-metallic…
This paper studies the lubricating properties of graphene on randomly rough Au surfaces in sliding nanofriction using molecular dynamics. It is shown that the friction and the consequent heat dissipation decrease more than an order of…
We demonstrate snake-like motion of graphene nanoribbons atop graphene and hexagonal boron nitride (h-BN) substrates using fully-atomistic non-equilibrium molecular dynamics simulations. The sliding dynamics of the edge-pulled nanoribbons…
We calculate the friction of fully mobile graphene flakes sliding on graphite. For incommensurately stacked flakes, we find a sudden and reversible increase in friction with load, in agreement with experimental observations. The transition…
The tribological performance of 2D materials makes them good candidates toward a reduction of friction at the macroscale. Superlubricity has been observed for graphene, MoS\textsubscript{2} and MXenes and hexagonal boron nitride (hBN) is…
Graphene monolayers are known to display domains of anisotropic friction with twofold symmetry and anisotropy exceeding 200 percent. This anisotropy has been thought to originate from periodic nanoscale ripples in the graphene sheet, which…
The interlayer sliding energy landscape of hexagonal boron nitride (h-BN) is investigated via a van der Waals corrected density functional theory approach. It is found that the main role of the van der Waals forces is to "anchor" the layers…
We study the properties of edge states in in-plane heterostructures made of adjacent zigzag graphene and BN ribbons. While in pure zigzag graphene nanoribbons, gapless edge states are nearly flat and cannot contribute significantly to the…
The electronic properties of moir\'e heterostructures depend sensitively on the relative orientation between layers of the stack. For example, near-magic-angle twisted bilayer graphene (TBG) commonly shows superconductivity, yet a TBG…
Lateral heterostructures of two-dimensional materials may exhibit various intriguing emergent properties. Yet when specified to the orientationally aligned heterojunctions of zigzag graphene and hexagonal boron nitride (hBN) nanoribbons,…
Based on first-principles density-functional theory calculations, we present a comparative study of the elec- tronic structures of ultranarrow zigzag graphene nanoribbons (ZGNRs) embedded in hexagonal boron nitride (BN) sheet and fully…
Graphene and boron nitride (GPBN) heterostructures provide a viable way to realize tunable bandgap, promising new opportunities in graphene-based nanoelectronic and optoelectronic devices. In the present study, we investigated the interplay…
Monolayer lateral heterostructure of graphene and hexagonal boron nitride (h-BNC) has attracted a growing attention mainly due to its tunable band-gap character and unique physical properties at interface. Hereby, we reported the first-time…
We investigate interlayer adhesion and relaxation at interfaces between graphene and hexagonal boron nitride (hBN) monolayers in van der Waals heterostructures. The adhesion potential between graphene and hBN is calculated as a function of…
Static friction induced by moir\'e superstructure in twisted incommensurate finite layered material interfaces reveals unique double periodicity and lack of scaling with contact size. The underlying mechanism involves compensation of…