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The potential energy surface (PES) of interlayer interaction of twistedbilayer graphene with vacancies in one of the layers is investigated viadensity functional theory (DFT) calculations with van der Waals corrections.These calculations give a non-negligible magnitude of PES corrugation of 28 meVper vacancy and barriers for relative sliding of the layers of 7 - 8 meV pervacancy for the moir\'e pattern with coprime indices (2,1) (twist angle21.8$^\circ$). At the same time, using the semiempirical potential fitted tothe DFT results, we confirm that twisted bilayer graphene without defectsexhibits superlubricity for the same moir\'e pattern and the magnitude of PEScorrugation for the infinite bilayer is below the calculation accuracy. Ourresults imply that atomic-scale defects restrict the superlubricity of 2Dlayers and can determine static and dynamic tribological properties of theselayers in a superlubric state. We also analyze computationally cheap approachesthat can be used for modeling of tribological behavior of large-scale systemswith defects. The adequacy of using state-of-the-art semiempirical potentialsfor interlayer interaction and approximations based on the first spatialFourier harmonics for the description of interaction between graphene layerswith defects is discussed.

Atomic-scale defects restricting structural superlubricity: Ab initio study study on the example of the twisted graphene bilayer