Non-equilibrium grain boundaries with excess energy in graphene

被引：24
|
作者：
Romanov, A. E. [1 ,2 ]
Kolesnikova, A. L. [1 ,3 ]
Orlova, T. S. [1 ,2 ]
Hussainova, I. [4 ]
Bougrov, V. E. [1 ]
Valiev, R. Z. [1 ,5 ]
机构：
[1] ITMO Univ, St Petersburg 197101, Russia
[2] Ioffe Phys Tech Inst, St Petersburg 194021, Russia
[3] Inst Problems Mech Engn, St Petersburg 199178, Russia
[4] Tallinn Univ Technol, EE-19086 Tallinn, Estonia
[5] Ufa State Aviat Tech Univ, Ufa 450000, Russia
来源：
CARBON | 2015年 / 81卷
关键词：
CHEMICAL-VAPOR-DEPOSITION; POLYCRYSTALLINE GRAPHENE; ELECTRONIC-PROPERTIES; ELASTIC PROPERTIES; TILT BOUNDARIES; DEFECT; TRANSPORT; ALLOYS; METALS;
D O I：
10.1016/j.carbon.2014.09.053
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Exploring an approach to grain boundary (GB) mesoscopic structure in 3D polycrystals, we develop a model description for equilibrium and non-equilibrium states of GBs in graphene. Non-equilibrium states of GBs in graphene are analyzed for the first time. On the base of this model, dependence of total energy for symmetric GBs on the misorientation angle, E(theta), in graphene was calculated. It was found that for the same average misorientation angle the energy in a non-equilibrium state of a GB in graphene can significantly exceed the energy in the equilibrium state. In graphene, the GB energy depends to a greater extent on the deviation from the equilibrium state than on the misorientation angle. It is proposed to account for the presence of non-equilibrium GBs in the explanations of unusual physical properties of graphene. (C) 2014 Elsevier Ltd. All rights reserved.
引用
收藏
页码：223 / 231
页数：9
相关论文
共 50 条
  • [41] Quantum Hall effect in polycrystalline graphene: The role of grain boundaries
    Cummings, Aron W.
    Cresti, Alessandro
    Roche, Stephan
    PHYSICAL REVIEW B, 2014, 90 (16)
  • [42] Kapitza thermal resistance across individual grain boundaries in graphene
    Azizi, Khatereh
    Hirvonen, Petri
    Fan, Zheyong
    Harju, Ari
    Elder, Ken R.
    Ala-Nissila, Tapio
    Allaei, S. Mehdi Vaez
    CARBON, 2017, 125 : 384 - 390
  • [43] Governing Rule for Dynamic Formation of Grain Boundaries in Grown Graphene
    Guo, Wei
    Wu, Bin
    Li, Yongtao
    Wang, Lifeng
    Chen, Jisi
    Chen, Bingyan
    Zhang, Zhiyong
    Peng, Lianmao
    Wang, Shuai
    Liu, Yunqi
    ACS NANO, 2015, 9 (06) : 5792 - 5798
  • [44] Equilibrium and non-equilibrium molecular dynamics simulation of thermo-osmosis: enhanced effects on polarised graphene surfaces
    Ouadfel, Mehdi
    Merabia, Samy
    Yamaguchi, Yasutaka
    Joly, Laurent
    MOLECULAR PHYSICS, 2024,
  • [45] Equilibrium and Non-Equilibrium Lattice Dynamics of Anharmonic Systems
    Esfarjani, Keivan
    Liang, Yuan
    ENTROPY, 2022, 24 (11)
  • [46] Topological defects in graphene: Dislocations and grain boundaries
    Yazyev, Oleg V.
    Louie, Steven G.
    PHYSICAL REVIEW B, 2010, 81 (19)
  • [47] Effect of grain boundaries on thermal transport in graphene
    Serov, Andrey Y.
    Ong, Zhun-Yong
    Pop, Eric
    APPLIED PHYSICS LETTERS, 2013, 102 (03)
  • [48] Kinetically Determined Shapes of Grain Boundaries in Graphene
    Bets, Ksenia, V
    Artyukhov, Vasilii, I
    Yakobson, Boris, I
    ACS NANO, 2021, 15 (03) : 4893 - 4900
  • [49] Energy flow and intersubunit signalling in GSAM: A non-equilibrium molecular dynamics study
    Harder-Viddal, C.
    Roshko, R. M.
    Stetefeld, J.
    COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL, 2020, 18 : 1651 - 1663
  • [50] Bimodal Phonon Scattering in Graphene Grain Boundaries
    Yasaei, Poya
    Fathizadeh, Arman
    Hantehzadeh, Reza
    Majee, Arnab K.
    El-Ghandour, Ahmed
    Estrada, David
    Foster, Craig
    Aksamija, Zlatan
    Khalili-Araghi, Fatemeh
    Salehi-Khojin, Amin
    NANO LETTERS, 2015, 15 (07) : 4532 - 4540
12345