Effect of chemical functionalization on the thermal conductivity of 2D hexagonal boron nitride

	Effect of chemical functionalization on the thermal conductivity of 2D hexagonal boron nitride
	Yang, Nannan; Zeng, Xiaoliang; Lu, Jibao; Sun, Rong; Wong, Ching-Ping
刊名	APPLIED PHYSICS LETTERS
	2018
文献子类	期刊论文
英文摘要	Hexagonal boron nitride nanosheets (h-BNNSs) are excellent candidates as fillers of polymer-based thermal interface materials for electronic packaging. Chemical functionalization of h-BNNSs is necessary to improve the dispersity of the h-BNNSs and reduce the interfacial thermal resistance (ITR) in the composites. However, though studied extensively, the thermal conductivity (TC) of the chemically functionalized h-BNNS/polymer composites is still well below expectations. Among the possible reasons, the TCs of the functionalized h-BNNSs themselves need to be considered thoroughly, as it has been shown that TC of graphene could be dramatically reduced to less than 10Wm(-1) K-1 by point defects. Here, we investigate the TCs of hexagonal boron nitride (h-BN) monolayers covalently adsorbed with -OH and -O(CH2) 4CH3 groups based on equilibrium molecular dynamics simulations. The TC of the functionalized h-BN decreases monotonically with the increasing concentration of adsorbed groups and tends to saturate at high concentrations. We surprisingly find that the almostsaturated TCs of the functionalized h-BN monolayers are still over 100Wm(-1) K-1, about 25% of the value of the pristine h-BN monolayer. The different functional groups have a similar effect on the TCs, which are mostly determined by the extent of distortion of the local 2D structure, and the functionalization introduces no additional anisotropy to the TC. Therefore, we conclude that the chemically functionalized h-BNs themselves are sufficiently thermally conductive as fillers of composites, and the chemical functionalization should be encouraged, with the focus on digging into how to reduce the ITR more effectively.
URL标识	查看原文
语种	英语
内容类型	期刊论文
源URL	[http://ir.siat.ac.cn:8080/handle/172644/13653]
专题	深圳先进技术研究院_集成所
推荐引用方式 GB/T 7714	Yang, Nannan,Zeng, Xiaoliang,Lu, Jibao,et al. Effect of chemical functionalization on the thermal conductivity of 2D hexagonal boron nitride[J]. APPLIED PHYSICS LETTERS,2018.
APA	Yang, Nannan,Zeng, Xiaoliang,Lu, Jibao,Sun, Rong,&Wong, Ching-Ping.(2018).Effect of chemical functionalization on the thermal conductivity of 2D hexagonal boron nitride.APPLIED PHYSICS LETTERS.
MLA	Yang, Nannan,et al."Effect of chemical functionalization on the thermal conductivity of 2D hexagonal boron nitride".APPLIED PHYSICS LETTERS (2018).