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

IF 2.9 3区工程技术 Q2 ENGINEERING, CHEMICAL

Tribology Letters Pub Date : 2025-05-22 DOI:10.1007/s11249-025-02008-w

Zifu Shen, Yongchao Chen, Guangchao Han, Ruilin Yan, Hailong Wang

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Abstract

Understanding and controlling friction is crucial for advancements in nanoscale systems and microelectromechanical devices. Moiré 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 moiré 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.

Graphical abstract

查看原文本刊更多论文

石墨烯/衬底相互作用对流体异质结构润滑的影响

理解和控制摩擦对于纳米级系统和微机电器件的进步至关重要。在石墨烯覆盖的金属衬底上形成的波纹超晶格提供了一个独特的机会来调节摩擦行为。然而，在这些异质结构中，石墨烯/衬底相互作用在润滑中的作用仍然没有得到充分的探讨。本研究采用分子动力学模拟与理论建模相结合的方法，研究了石墨烯-衬底相互作用对波纹异质结构中摩擦的影响。结果揭示了侧向力对相互作用强度的非单调依赖，这是由石墨烯起皱和弹性能量动力学之间的竞争决定的。在弱相互作用下，尖端/石墨烯粘附诱导的石墨烯起皱通过增加钉住原子来增强摩擦。相反，强相互作用导致弹性能量的积累和松弛，提高粘滑运动中的摩擦。其他因素，如正常载荷、尖端尺寸、尖端几何形状和尖端/石墨烯相互作用，显著影响摩擦行为。提出了一个改进的Prandtl-Tomlinson模型来验证这些发现，证明与模拟结果非常吻合。这项工作阐明了石墨烯-衬底-相互作用相关摩擦行为的机制，并为调整二维材料的摩擦学特性提供了一个框架，使设计具有可控润滑的先进MEMS和NEMS成为可能。图形抽象

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来源期刊

Tribology Letters 工程技术-工程：化工

CiteScore

5.30

自引率

9.40%

发文量

116

审稿时长

2.5 months

期刊介绍： Tribology Letters is devoted to the development of the science of tribology and its applications, particularly focusing on publishing high-quality papers at the forefront of tribological science and that address the fundamentals of friction, lubrication, wear, or adhesion. The journal facilitates communication and exchange of seminal ideas among thousands of practitioners who are engaged worldwide in the pursuit of tribology-based science and technology.