Nanoscale Friction Behavior of Transition-Metal Dichalcogenides: Role of the Chalcogenide

Despite extensive research on the tribological properties of MoS₂, the frictional characteristics of other members of the transition-metal dichalcogenide (TMD) family have remained relatively unexplored. To understand the effect of the chalcogen on the tribological behavior of these materials and gain broader general insights into the factors controlling friction at the nanoscale, we compared the friction force behavior for a nanoscale single asperity sliding on MoS₂, MoSe₂, and MoTe₂ in both bulk and monolayer forms through a combination of atomic force microscopy experiments and molecular dynamics simulations. Experiments and simulations showed that, under otherwise identical conditions, MoS₂ has the highest friction among these materials and MoTe₂ has the lowest. Simulations complemented by theoretical analysis based on the Prandtl–Tomlinson model revealed that the observed friction contrast between the TMDs was attributable to their lattice constants, which differed depending on the chalcogen. While the corrugation amplitudes of the energy landscapes are similar for all three materials, larger lattice constants permit the tip to slide more easily across correspondingly wider saddle points in the potential energy landscape. These results emphasize the critical role of the lattice constant, which can be the determining factor for frictional behavior at the nanoscale.