凹槽铜基底表面与单层石墨烯的相互作用特性研究

张忠强; 贾毓瑕; 郭新峰; 葛道晗; 程广贵; 丁建宁

doi:10.7498/aps.67.20172249

摘要

基于石墨烯二维材料的诸多应用需要将其大面积、高质量地转移到目标基底上，迫切需要了解石墨烯在剥离和转移过程中与基底之间的相互作用特性.本文采用经典分子动力学方法探索了铜基底表面凹槽的几何特征尺寸对石墨烯吸附和剥离过程中凹槽基底对石墨烯吸附作用的影响机理和规律.结果表明：对于固定边界条件下的单层石墨烯，当基底表面的凹槽宽度固定不变时，吸附过程中基底对石墨烯的吸附力随二者间距的减小，呈现先增大后减小的趋势；其最大吸附力随凹槽深度的增加而增大，而当凹槽深度继续增大至石墨烯未能吸附进入凹槽底部的临界值时，吸附力迅速减小；剥离过程中，石墨烯完全剥离的临界作用力随凹槽深度的增加同样呈现先增大后减小的趋势，且与剥离前石墨烯与凹槽基底的相互作用面积有关；当基底表面凹槽的深度固定不变时，吸附和剥离过程中石墨烯-基底之间的吸附力随间距的变化规律取决于石墨烯在基底凹槽处的稳态吸附构型.

关键词:

Abstract

The two-dimensional material graphene is usually required to be transferred on the target substrate for some special applications, thus it is important to understand the adsorption properties in the graphene transferring and stripping processes. In this paper, the adsorption properties of a single-layered graphene on the grooved copper substrate are investigated using molecular dynamics simulations. The influence of geometric characteristic size of the groove on the adsorption force of the graphene deriving from the substrate is explored. For the fixed boundary conditions of the graphene, the adsorption force increases up to maximum and then decreases with reducing the distance between the graphene and substrate in the adsorbing process. The maximum adsorption force increases with groove depth increasing, with the groove width kept constant. Nevertheless, as the groove depth increases continuously, the adsorption force decreases greatly until the graphene cannot be adsorbed into the groove. In the graphene stripping process, the critical force that can strip the graphene completely from the substrate increases first and then decreases with the increase of the groove depth, which is also dependent on the steady adsorbing configuration of the system before stripping. With the groove depth kept constant, the magnitude of the adsorption force between the graphene and substrate is determined by the steady adsorbing configuration of the graphene in the groove region. The adsorption force versus the distance between the graphene and the grooved substrate can be divided into two groups according to whether the graphene can be adsorbed into the groove. In both adsorbing and stripping processes, the adsorption force for the graphene adsorbed into the groove is obviously larger than that for the graphene covered on the groove. Moreover, the influence of the boundary condition of the graphene on the adsorption properties in the groove region on the substrate is considered preliminarily. It indicates that the tensile plane stress within the graphene sheet induced by the fixed boundaries can hinder the graphene from being adsorbed into the groove. The findings may be helpful for the graphene-based fabrication of nano-apparatus and functionalized surface modification.

Keywords:

作者及机构信息

1.
江苏大学微纳米科学技术研究中心, 镇江 212013;

2.
常州大学, 江苏省光伏科学与工程协同创新中心, 常州 213164;

3.
大连理工大学, 工业装备结构分析国家重点实验室, 大连 116024

通信作者: 张忠强, zhangzq@ujs.edu.cn

基金项目: 国家自然科学基金（批准号：11472117，11372298）和江苏省自然科学基金（批准号：BK20140556）资助的课题.

Authors and contacts

1.
Micro/Nano Science and Technology Center, Jiangsu University, Zhenjiang 212013, China;

2.
Jiangsu Collaborative Innovation Center of Photovoltaic Science and Engineering, Changzhou University, Changzhou 213164, China;

3.
State Key Laboratory of Structural Analysis for Industrial Equipment, Dalian University of Technology, Dalian 116024, China

Corresponding author: Zhang Zhong-Qiang, zhangzq@ujs.edu.cn

Funds: Project supported by the National Natural Science Foundation of China (Grant Nos. 11472117, 11372298) and the National Science Foundation of Jiangsu Province, China (Grant No. BK20140556).

参考文献

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施引文献

[1]	Novoselov K S, Geim A K, Morozov S V, Jiang D, Zhang Y, Dubonos S V, Grigorieva I V 2004 Science 306 666
[2]	Geim A K 2009 Science 324 1530
[3]	Castro Neto A H, Guinea F, Peres N M R, Novoselov K S, Geim A K 2009 Rev. Mod. Phys. 81 109
[4]	Lee C, Wei X, Kysar J W, Hone J 2008 Science 321 385
[5]	Damm C, Nacken T J, Peukert W 2015 Carbon 81 284
[6]	Oliveira Jr M H, Schumann T, Gargallo-Caballero R, Fromm F, Seyller T, Ramsteiner M, Trampert A, Geelhaar L, Lopes J M J, Riechert H 2013 Carbon 56 339
[7]	Stankovich S, Dikin D A, Piner R D, Kohlhaas K A, Kleinhammes A, Jia Y, Wu Y, Nguyen S T, Ruoff R S 2007 Carbon 45 1558
[8]	Li H, Fu Z B, Wang H B, Yi Y, Huang W, Zhang J C 2017 Acta Phys. Sin. 66 058101 (in Chinese) [李浩, 付志兵, 王红斌, 易勇, 黄维, 张继成 2017 66 058101]
[9]	Tyurnina A V, Okuno H, Pochet P, Dijon J 2016 Carbon 102 499
[10]	Kang J, Shin D, Bae S, Hong B H 2012 Nanoscale 4 5527
[11]	Bunch J S, Zande A M V D, Verbridge S S, Frank L W, Tanenbaum D M, Parpia J M, Craighead H G, McEuen P L 2007 Science 315 490
[12]	Koenig S P, Boddeti N G, Dunn M L, Bunch J S 2011 Nat. Nanotechnol. 6 543
[13]	He Y, Yu W, Ouyang G 2015 J. Phys. Chem. C 119 5420
[14]	Qiu W, Zhang Q P, Li Q, Xu C C, Guo J G 2017 Acta Phys. Sin. 66 166801 (in Chinese) [仇巍, 张启鹏, 李秋, 许超宸, 郭建刚 2017 66 166801]
[15]	Budrikis Z, Zapperi S 2016 Nano Lett. 16 387
[16]	Na S R, Ji W S, Ruoff R S, Rui H, Liechti K M 2014 ACS Nano 8 11234
[17]	Kumar S, Parks D, Kamrin K 2016 ACS Nano 10 6552
[18]	Wood J D, Schmucker S W, Lyons A S, Pop E, Lyding J W 2011 Nano Lett. 11 4547
[19]	Brenner D W, Shenderova O A, Harrison J A, Stuart S J, Sinnott S B 2002 J. Phys.: Condens. Mater. 14 783
[20]	Hu C, Bai M, L J, Wang P, Zhang L, Li X 2014 Microfluid. Nanofluid. 17 581
[21]	Foils S M, Baskes M I, Daw M S 1986 Phys. Rev. B 33 7983
[22]	Jones J E 1924 Proc. Roy. Soc. London Ser. A 106 441
[23]	Guo Y, Guo W 2006 Nanotechnology 17 4726

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