Influence of Stone-Wales defects on elastic properties of graphene nanofilms

被引：38
|
作者：
Wang, Shao-Pei [1 ]
Guo, Jian-Gang [1 ,2 ]
Zhou, Li-Jun [1 ,3 ]
机构：
[1] Tianjin Univ, Sch Mech Engn, Tianjin Key Lab Modern Engn Mech, Tianjin 300072, Peoples R China
[2] Brown Univ, Sch Engn, Providence, RI 02912 USA
[3] Tianjin Univ Technol & Educ, Dept Mech Engn, Tianjin 300222, Peoples R China
来源：
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES | 2013年 / 48卷
基金：
中国国家自然科学基金;
关键词：
ANISOTROPIC MECHANICAL-PROPERTIES; MOLECULAR-DYNAMICS; CARBON NANOTUBES; FORCE-FIELD; MONOLAYER; SHEETS; WATER;
D O I：
10.1016/j.physe.2012.11.002
中图分类号：
TB3 [工程材料学];
学科分类号：
0805 ; 080502 ;
摘要：
Molecular structural mechanics based finite element method is applied to study the influence of the two types of Stone-Wales defects on the elastic properties of monolayer and multilayer graphene nanofilms. Models with spatial frame structures are developed to simulate the graphene crystal with Stone-Wales defects based on the linkage between the inter-atomic potential energy in molecular mechanics and the strain energy in classical structural mechanics. Several possible influencing factors, including the number and types of Stone-Wales defects, the distance between two defects and the position of defects in the graphene, are taken into account to evaluate Young's moduli and Poisson's ratios of armchair and zigzag monolayer graphene nanofilms. It is shown that the Stone-Wales defects have remarkable influence on the elastic properties of monolayer graphene. In addition, the size-dependent Young's moduli and Poisson's ratios of multilayer graphene nanofilms are also investigated when the Stone-Wales defects in surface layers are taken into consideration. (C) 2012 Elsevier B.V. All rights reserved.
引用
收藏
页码：29 / 35
页数：7
相关论文
共 50 条
  • [31] Electronic properties of graphene nanoribbons with Stone-Wales defects using the tight-binding method
    Chuan, M. W.
    Lok, S. Z.
    Hamzah, A.
    Alias, N. E.
    Sultan, S. Mohamed
    Lim, C. S.
    Tan, M. L. P.
    ADVANCES IN NANO RESEARCH, 2023, 14 (01) : 1 - 15
  • [32] The effect of Stone-Wales defects and roughness degree on the lubricity of graphene on gold surfaces
    Sadollah Ebrahimi
    Journal of Molecular Modeling, 2018, 24
  • [33] Tensile behaviors of graphene sheets and carbon nanotubes with multiple Stone-Wales defects
    Xiao, J. R.
    Staniszewski, J.
    Gillespie, J. W., Jr.
    MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 2010, 527 (03): : 715 - 723
  • [34] The effect of Stone-Wales defects and roughness degree on the lubricity of graphene on gold surfaces
    Ebrahimi, Sadollah
    JOURNAL OF MOLECULAR MODELING, 2018, 24 (04)
  • [35] The effect of Stone-Wales defects on the mechanical behavior of graphene nano-ribbons
    Fu, Yin
    Ragab, Tarek
    Basaran, Cemal
    COMPUTATIONAL MATERIALS SCIENCE, 2016, 124 : 142 - 150
  • [36] Influence of Stone-Wales defects on the mechanical properties of graphene-like polyaniline (PANI) C3N nanosheets
    Sadeghzadeh, Sadegh
    Ghojavand, Majid
    Mahmoudi, Jafar
    DIAMOND AND RELATED MATERIALS, 2020, 101
  • [37] Stone-Wales rearrangements involving heptagonal defects
    Toyohashi Univ of Technology, Toyohashi, Japan
    Fullerene Sci Technol, 5 (939-961):
  • [38] Vacancies and Stone-Wales defects in twisted bilayer graphene - A comparative theoretical study
    Dietrich, Fabian
    Guevara, Ulises J.
    Tiutiunnyk, Anton
    Laroze, David
    Cisternas, Eduardo
    FLATCHEM, 2023, 41
  • [39] Effects of Stone-Wales defects on optical properties of silicene: DFT study
    Kamyabmehr, Sepideh
    Zoriasatain, Susan
    Matin, Laleh Farhang
    OPTIK, 2021, 241
  • [40] Stone-Wales rearrangements involving heptagonal defects
    Osawa, E
    Honda, K
    FULLERENE SCIENCE AND TECHNOLOGY, 1996, 4 (05): : 939 - 961
12345