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

{"title":"First-Principles Study of Superlubricity of Two-Dimensional Graphene/ WS2 Heterostructures","authors":"Dongwei Liang, Cheng Zhang, Chengyu Shen, Guangteng Cao, Ningbo Liao, Miao Zhang","doi":"10.1007/s11249-024-01949-y","DOIUrl":null,"url":null,"abstract":"<div>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.</div>","PeriodicalId":806,"journal":{"name":"Tribology Letters","volume":"73 1","pages":""},"PeriodicalIF":2.9000,"publicationDate":"2024-12-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Tribology Letters","FirstCategoryId":"5","ListUrlMain":"https://link.springer.com/article/10.1007/s11249-024-01949-y","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"ENGINEERING, CHEMICAL","Score":null,"Total":0}

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.

查看原文本刊更多论文

求助全文

约1分钟内获得全文求助全文

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.