Puckering vs. Localisation: Contrasting Nanoscale Lithography and Wear Mechanisms in MoS2 and Graphene on SiO2

Two-dimensional (2D) materials are promising candidates for nanoscale wear-protective coatings. The mechanisms governing their tribological behaviour (i.e., friction and wear) are material-dependent. In this work, we use atomistic molecular dynamics simulations to investigate nanoscale sliding, friction, and lithographic tracks in two 2D materials, graphene and MoS2, both placed on a SiO2 substrate. Our results reveal fundamentally different deformation mechanisms in the two materials, where def