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 ,&nbsp;Lin Yao ,&nbsp;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
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
求助全文
约1分钟内获得全文 去求助
来源期刊
Computational Materials Science
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.
期刊最新文献
Impacts of alkali and alkaline earth defects on the Electronic, magnetic properties and work function of 2H-CrS2 Short-range order based ultra fast large-scale modeling of high-entropy alloys Predicting the heat of formation and energy above convex hull of 2D MXenes using machine-learning methods Morphologies and interlayer delamination of multilayer graphene on rough Au substrate Investigation on the aggregation behavior and mechanical properties of silica-filled natural rubber composites: A coarse-grained molecular dynamics study
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1