Morphologies and interlayer delamination of multilayer graphene on rough Au substrate

IF 3.1 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Computational Materials Science Pub Date : 2025-03-04 DOI:10.1016/j.commatsci.2025.113810

Shuhong Dong , Lin Yao , Jiukang Fang

{"title":"Morphologies and interlayer delamination of multilayer graphene on rough Au substrate","authors":"Shuhong Dong , Lin Yao , Jiukang Fang","doi":"10.1016/j.commatsci.2025.113810","DOIUrl":null,"url":null,"abstract":"<div><div>Recently, Au-assisted exfoliation method [<em>Nat. Commun.</em>, 2020, 11(1): 2453; <em>Sci. Adv.</em>, 2020, 6(44): eabc6601] has been identified as a universal route for producing large-area graphene monolayers because of large interfacial adhesion between Au and graphene. However, atomically flat Au films are difficult to be prepared in available experiments. In this study, the effects of rough Au substrate on the configuration and interlayer delamination of multilayer graphene are analyzed by combining theoretical models with molecular dynamics simulations. The competition between interfacial van der Waals interaction and bending energy of multilayer graphene determines morphologies of graphene membranes. In particular, the interface delamination of multilayer graphene can be regulated by amplitudes and wavelengths of rough Au substrate. This study provides a deep understanding of bending behaviors of two-dimensional multilayer nanomaterials on rough substrate, which is of great importance for designing multilayer graphene-based electron devices.</div></div>","PeriodicalId":10650,"journal":{"name":"Computational Materials Science","volume":"252 ","pages":"Article 113810"},"PeriodicalIF":3.1000,"publicationDate":"2025-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Computational Materials Science","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0927025625001533","RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}

引用次数: 0

Abstract

Recently, Au-assisted exfoliation method [Nat. Commun., 2020, 11(1): 2453; Sci. Adv., 2020, 6(44): eabc6601] has been identified as a universal route for producing large-area graphene monolayers because of large interfacial adhesion between Au and graphene. However, atomically flat Au films are difficult to be prepared in available experiments. In this study, the effects of rough Au substrate on the configuration and interlayer delamination of multilayer graphene are analyzed by combining theoretical models with molecular dynamics simulations. The competition between interfacial van der Waals interaction and bending energy of multilayer graphene determines morphologies of graphene membranes. In particular, the interface delamination of multilayer graphene can be regulated by amplitudes and wavelengths of rough Au substrate. This study provides a deep understanding of bending behaviors of two-dimensional multilayer nanomaterials on rough substrate, which is of great importance for designing multilayer graphene-based electron devices.

Abstract Image

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

Computational Materials Science 工程技术-材料科学：综合

CiteScore

6.50

自引率

6.10%

发文量

665

审稿时长

26 days

期刊介绍： The goal of Computational Materials Science is to report on results that provide new or unique insights into, or significantly expand our understanding of, the properties of materials or phenomena associated with their design, synthesis, processing, characterization, and utilization. To be relevant to the journal, the results should be applied or applicable to specific material systems that are discussed within the submission.