Impact of Graphene/Substrate-Interaction on Lubrication within Moiré Heterostructures

ZF Shen and YC Chen and GC Han and RL Yan and HL Wang, TRIBOLOGY LETTERS, 73, 77 (2025).

DOI: 10.1007/s11249-025-02008-w

Understanding and controlling friction is crucial for advancements in nanoscale systems and microelectromechanical devices. Moir & eacute; superlattices formed on graphene-covered metallic substrates present a unique opportunity to modulate frictional behavior. However, the role of graphene/substrate interaction in lubrication within these heterostructures remains inadequately explored. In this study, molecular dynamics simulations combined with theoretical modeling are employed to investigate the impact of graphene-substrate interactions on friction in moir & eacute; heterostructures. The results reveal a nonmonotonic dependence of lateral forces on interaction strength, governed by the competition between graphene wrinkling and elastic energy dynamics. In the weak interaction regime, tip/graphene-adhesion-induced graphene wrinkling enhances friction by increasing pinning atoms. In contrast, strong interactions lead to elastic energy accumulation and relaxation, elevating friction during stick-slip motion. Additional factors, such as normal load, tip size, tip geometry, and tip/graphene interaction, significantly influence frictional behavior. An improved Prandtl- Tomlinson model is developed to validate the findings, demonstrating excellent agreement with simulation results. This work elucidates the mechanisms underlying graphene-substrate-interaction-dependent frictional behavior and offers a framework for tuning tribological properties in two-dimensional materials, enabling the design of advanced MEMS and NEMS with controllable lubrication.

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