Thermal transport in grain boundary of graphene by non-equilibrium Green's function approach
Thermal transport in grain boundary of graphene by non-equilibrium Green's function approach
复制标题
DOI：
10.1063/1.4737653
复制
发表时间：
2012-07-23
影响因子：
4
通讯作者：
Guo, Jing
中科院分区：
文献类型：
--
作者：
Lu, Yang;Guo, Jing
通过Brenner势组合晶格动力学的方法[D.W.Brenner等人，J.物理：简明。物质14,783(2002)]声子输运通过非平衡格林函数方法被用来计算石墨烯晶界的热导。结果表明，与结构相关的电子输运相比，所有类型的晶界都具有良好的导热性能。Z字形取向的对称晶界表现出最高的热导率，与石墨烯微区的晶体取向角有微弱的依赖关系。晶界热导率随温度升高而增大，而热平衡性随温度升高而减小。石墨烯晶界的导热系数以面外模式为主。(C)2012年美国物理研究所。[http://dx.doi.org/10.1063/1.4737653]
A method of combining lattice dynamics through the Brenner potential [D. W. Brenner et al., J. Phys.: Condens. Matter 14, 783 (2002)] with phonon transport through non-equilibrium Green's function approach is applied to calculate the thermal conductance of graphene grain boundaries. The results show that all types of grain boundaries offer excellent thermal conductivity, in contrast to electronic transport which is structure-dependent. Zigzag-oriented symmetric grain boundaries present the highest thermal conductance, with weak dependence on the crystal alignment angle of graphene domains. The thermal conductance of grain boundaries increases while thermal ballisticity decreases with temperature. The out-of-plane mode is dominant in thermal conductivity of graphene grain boundaries. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4737653]