First-Principles Study of Superlubricity of Two-Dimensional Graphene/ WS2 Heterostructures

IF 2.9 3区工程技术 Q2 ENGINEERING, CHEMICAL

Tribology Letters Pub Date : 2024-12-07 DOI:10.1007/s11249-024-01949-y

Dongwei Liang, Cheng Zhang, Chengyu Shen, Guangteng Cao, Ningbo Liao, Miao Zhang

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引用次数: 0

Abstract

Layered two-dimensional nanomaterials such as graphene and WS₂, possess superlubricity properties and thus offer a promising solution to mitigate friction and wear in micro-electromechanical systems. In this study, the atomic friction properties of graphene/graphene, WS₂/WS₂, and graphene/WS₂ bilayer heterostructure systems were examined through density functional theory simulations. Results indicated that the friction strength of the graphene/WS₂ bilayer heterostructure system was lower than that of the graphene/graphene and WS₂/WS₂ systems. Specifically, the graphene/WS₂ bilayer heterostructure system demonstrated ultra-low friction coefficients ranging from 0.0006 to 0.0096, resulting in friction strengths in the range of 10^⁻³ nN. Furthermore, the heightened electrostatic repulsion and smooth potential energy fluctuation helped reduce friction, validating the superlubricity performance of the graphene/WS₂ heterostructure system.

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二维石墨烯/ WS2异质结构超润滑性第一性原理研究

层状二维纳米材料，如石墨烯和WS2，具有超润滑性能，因此为减轻微机电系统中的摩擦和磨损提供了一个有前途的解决方案。本研究通过密度泛函理论模拟研究了石墨烯/石墨烯、WS2/WS2和石墨烯/WS2双层异质结构体系的原子摩擦性能。结果表明，石墨烯/WS2双层异质结构体系的摩擦强度低于石墨烯/石墨烯和WS2/WS2体系。具体而言，石墨烯/WS2双层异质结构体系的摩擦系数在0.0006至0.0096之间，摩擦强度在10^−3 nN之间。此外，增强的静电斥力和平滑的势能波动有助于减少摩擦，验证了石墨烯/WS2异质结构体系的超润滑性能。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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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.