Morphologies and interlayer delamination of multilayer graphene on rough Au substrate

IF 3.3 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Computational Materials Science Pub Date : 2025-04-01 Epub 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":3.3000,"publicationDate":"2025-04-01","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":"2025/3/4 0:00:00","PubModel":"Epub","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
粗糙金衬底上多层石墨烯的形貌和层间分层
近年来,金辅助去角质方法[Nat. common]。浙江农业学报,2020,11(1):2453;科学。材料导报,2020,6(44):eabc6601]被认为是制备大面积石墨烯单层膜的通用途径,因为Au和石墨烯之间的界面粘附较大。然而,在现有的实验中,很难制备出原子平面的Au薄膜。本研究采用理论模型和分子动力学模拟相结合的方法,分析了粗糙金衬底对多层石墨烯结构和层间分层的影响。多层石墨烯的界面范德华相互作用和弯曲能之间的竞争决定了石墨烯膜的形态。特别是,多层石墨烯的界面分层可以通过粗糙的Au衬底的振幅和波长来调节。该研究为深入了解二维多层纳米材料在粗糙衬底上的弯曲行为提供了依据,对多层石墨烯基电子器件的设计具有重要意义。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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
Editorial Board Increasing inter-fiber contact in the Altendorf-Jeulin model Influence of anions of imidazolium based ionic liquids on the molecular properties of poly(benzimidazolium – co – benzimidazolide) ionene’s First-principles study on high-pressure behavior of terahertz spectrum in TATB crystal Point defect energetics in gallium arsenide, a comprehensive density functional theory 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:604180095
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