Commensurate lattice constant dependent thermal conductivity of misoriented bilayer graphene

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	Commensurate lattice constant dependent thermal conductivity of misoriented bilayer graphene
	Neupane, Mahesh R.; Li, Chenyang; Debnath, Bishwajit; Tan, Xiaojian; Su, Shanshan; Xu, Kui; Ge, Supeng; Lake, Roger K.
刊名	CARBON
	2018
卷号	138 页码:451-457
关键词	Few-layer Graphene Molecular-dynamics Phonon-dispersion Raman-scattering Simulations Rotations Transport Metals Sheets
英文摘要	Misorientation of two layers of bilayer graphene leaves distinct signatures in the electronic properties and the phonon modes. The effect on the thermal conductivity has received the least attention and is the least well understood. In this work, the in-plane thermal conductivity of misoriented bilayer graphene (m-BLG) is investigated as a function of temperature and interlayer misorientation angle using nonequilibrium molecular dynamics (NEMD). The central result is that the calculated thermal conductivities decrease approximately linearly with the increasing lattice constant of the commensurate m-BLG unit cell. Comparisons of the phonon dispersions show that misorientation has negligible affect on the low-energy phonon frequencies and velocities. However, the larger periodicity of m-BLG reduces the Brillouin zone size to the extent that the zone edge acoustic phonons are thermally populated. This allows Umklapp scattering to reduce the lifetimes of the phonons contributing to the thermal transport, and consequently, to reduce the thermal conductivity. This explanation is supported by direct calculation of reduced phonon lifetimes in m-BLG based on density functional theory (DFT). (C) 2018 Elsevier Ltd. All rights reserved.
学科主题	Materials Science
语种	英语
公开日期	2018-12-04
内容类型	期刊论文
源URL	[http://ir.nimte.ac.cn/handle/174433/17088]
专题	2018专题
推荐引用方式 GB/T 7714	Neupane, Mahesh R.,Li, Chenyang,Debnath, Bishwajit,et al. Commensurate lattice constant dependent thermal conductivity of misoriented bilayer graphene[J]. CARBON,2018,138:451-457.
APA	Neupane, Mahesh R..,Li, Chenyang.,Debnath, Bishwajit.,Tan, Xiaojian.,Su, Shanshan.,...&Lake, Roger K..(2018).Commensurate lattice constant dependent thermal conductivity of misoriented bilayer graphene.CARBON,138,451-457.
MLA	Neupane, Mahesh R.,et al."Commensurate lattice constant dependent thermal conductivity of misoriented bilayer graphene".CARBON 138(2018):451-457.