Lattice thermal conductivity of penta-graphene

doi:10.1016/j.carbon.2016.04.054

CORC > 北京大学 > 工学院

	Lattice thermal conductivity of penta-graphene
	Wang, Fancy Qian ; Yu, Jiabing ; Wang, Qian ; Kawazoe, Yoshiyuki ; Jena, Puru
刊名	CARBON
	2016
关键词	PHONON BOLTZMANN-EQUATION LAYER GRAPHENE TENSILE STRAINS TRANSPORT
DOI	10.1016/j.carbon.2016.04.054
英文摘要	Motivated by the unique geometry and novel properties of penta-graphene proposed recently as a new carbon allotrope consisting of pure pentagons [Zhang et al. Proc. Natl. Acad. Sci. 2015, 112, 2372], we systematically investigated its phonon transport properties by solving exactly the linearized phonon Boltzmann transport equation combined with first principles calculations. The intrinsic lattice thermal conductivity K-lat of penta-graphene is found to be about 645 W/mK at room temperature, which is significantly reduced as compared to that of graphene. The underlying reason is the strong anharmonic effect introduced by the buckled pentagonal structure with hybridized sp(2) and sp(3) bonding. A detailed analysis of the phonons of penta-graphene reveals that the ZA mode is the primary heat carrier (nearly 60%). The K-lat is dominated by three-phonon scattering where the scattering rate of the Normal scattering process is comparable to that of the Umklapp scattering process. The phonon mean free path of the collective phonon excitations is in the order of micrometers. Complementing the high thermal conductivity of graphene, the low thermal conductivity of penta-graphene adds additional features to the family of carbon materials for thermal applications. (C) 2016 Elsevier Ltd. All rights reserved.; National Natural Science Foundation of China [NSFC-51471004]; National Grand Fundamental Research 973 Program of China [2012CB921404]; Doctoral Program of Higher Education of China [20130001110033]; U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-FG02-96ER45579]; [N62909-16-1-2036]; SCI(E); EI; ARTICLE; qianwang2@pku.edu.cn; 424-429; 105
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/437059]
专题	工学院
推荐引用方式 GB/T 7714	Wang, Fancy Qian,Yu, Jiabing,Wang, Qian,et al. Lattice thermal conductivity of penta-graphene[J]. CARBON,2016.
APA	Wang, Fancy Qian,Yu, Jiabing,Wang, Qian,Kawazoe, Yoshiyuki,&Jena, Puru.(2016).Lattice thermal conductivity of penta-graphene.CARBON.
MLA	Wang, Fancy Qian,et al."Lattice thermal conductivity of penta-graphene".CARBON (2016).