Abstract Two-dimensional materials having a layered structure comprise a monolayer or multilayers of atomic thickness and ultra-low shear strength. Their high specific surface area, in-plane strength, weak layer-layer interaction, and surface chemical stability result in remarkably low friction and wear-resisting properties. Thus, 2D materials have attracted considerable attention. In recent years, great advances have been made in the scientific research and industrial applications of anti-friction, anti-wear, and lubrication of 2D materials. In this article, the basic nanoscale friction mechanisms of 2D materials including interfacial friction and surface friction mechanisms are summarized. This paper also includes a review of reports on lubrication mechanisms based on the film-formation, self-healing, and ball bearing mechanisms and applications based on lubricant additives, nanoscale lubricating films, and space lubrication materials of 2D materials in detail. Finally, the challenges and potential applications of 2D materials in the field of lubrication were also presented.