Structural superlubricity is a fascinating tribological phenomenon, in which the lateral interactions between two incommensurate contacting surfaces are effectively cancelled resulting in ultralow sliding friction. Here we report the experimental realization of robust superlubricity in microscale monocrystalline heterojunctions, which constitutes an important step towards the macroscopic scale-up of superlubricity. The results for interfaces between graphite and hexagonal boron nitride clearly demonstrate that structural superlubricity persists even when the aligned contact sustains external loads under ambient conditions. The observed frictional anisotropy in the heterojunctions is found to be orders of magnitude smaller than that measured for their homogeneous counterparts. Atomistic simulations reveal that the underlying frictional mechanisms in the two cases originate from completely different dynamical regimes. Our results are expected to be of a general nature and should be applicable to other van der Waals heterostructures.

We demonstrate snake-like motion of graphene nanoribbons atop graphene and hexagonal boron nitride ( h-BN) substrates using fully atomistic nonequilibrium molecular dynamics simulations. The sliding dynamics of the edge-pulled nanoribbons is found to be determined by the interplay between in-plane ribbon elasticity and interfacial lattice mismatch. This results in an unusual dependence of the friction-force on the ribbon's length, exhibiting an initial linear rise that levels-off above a junction-dependent threshold value dictated by the pre-slip stress distribution within the slider. As part of this letter, we present the LAMMPS implementation of the registry-dependent interlayer potentials for graphene, h-BN, and their heterojunctions that were used herein, which provides enhanced performance and accuracy.

The origin of ultra-low friction exhibited by heterogeneous junctions of graphene and hexagonal boron nitride (h-BN) is revealed. For aligned interfaces, we identify a characteristic contact size, below which the junction behaves like its homogeneous counterparts with friction forces that grow linearly with the contact area. Superlubricity sets in due to the progressive appearance of Moiré patterns resulting in a collective stick-slip motion of the elevated super-structure ridges that turns into smooth soliton-like gliding with increasing contact size. Incommensurability effects are enhanced in misaligned contacts, where the friction coefficients further drop by orders of magnitude. Our fully atomistic simulations show that the superlubric regime in graphene/h-BN heterostructures persists up to significantly higher loads compared to the well-studied twisted homogeneous graphene interface. This indicates the potential of achieving robust superlubricity in practical applications using two-dimensional layered materials heterojunctions.

We present a tight-binding calculation of a twisted bilayer graphene at magic angle θ ∼ 1.08 • , allowing for full, in-and out-of-plane, relaxation of the atomic positions. The resulting band structure displays as usual four narrow mini bands around the neutrality point, well separated from all other bands after the lattice relaxation. A thorough analysis of the mini-bands Bloch functions reveals an emergent D6 symmetry, despite the lack of any manifest point group symmetry in the relaxed lattice. The Bloch functions at the Γ point are degenerate in pairs, reflecting the so-called valley degeneracy. Moreover, each of them is invariant under C3z, i.e., transforming like one-dimensional, in-plane symmetric irreducible representation of an "emergent" D6 group. Out of plane, the lower doublet is even under C2x, while the upper doublet is odd, which implies that at least eight Wannier orbitals, two s-like and two pz-like for each of the two supercell sublattices AB and BA are necessary, probably not sufficient, to describe the four mini bands. This unexpected one-electron complexity is likely to play an important role in the still unexplained metal-insulator-superconductor phenomenology of this system.

The static friction preventing the free sliding of nanosized rare gas solid islands physisorbed on incommensurate crystalline surfaces is not completely understood. Simulations modeled on Kr/Pb(111) highlight the importance and the scaling behavior of the island's edge contribution to static friction.