Controlling the orientations of h-BN during growth on transition metals   by chemical vapor deposition

doi:10.1039/c6nr09368j

CORC > 北京大学 > 化学与分子工程学院

	Controlling the orientations of h-BN during growth on transition metals by chemical vapor deposition
	Zhao, Ruiqi ; Zhao, Xiaolei ; Liu, Zhirong ; Ding, Feng ; Liu, Zhongfan
刊名	NANOSCALE
	2017
关键词	HEXAGONAL BORON-NITRIDE SCANNING-TUNNELING-MICROSCOPY CORRUGATED MONOLAYER EMBEDDED GRAPHENE CRYSTALLINE LAYER EDGES MORPHOLOGY DOMAINS ENERGY
DOI	10.1039/c6nr09368j
英文摘要	Hexagonal boron nitride (h-BN) is crucial for many applications, and its synthesis over a large area with high quality is strongly desired. A promising approach to synthesize h-BN is chemical vapor deposition on transition metal catalysts, in which the alignments of BN clusters in the initial growth determine both the types and the amounts of defects in h-BN. In the search for a better catalyst, we systematically studied the interactions between h-BN clusters and various metal surfaces. Our results show that the clusters on nearly all catalyst surfaces, no matter whether the (111) facets of face-centered cubic (FCC) metals or the (0001) facets of hexagonal close packed (HCP) metals, have two local minima with opposite orientations. During the initial growth, h-BN clusters adopt the energy-favored sites, whose registry is well preserved upon further growth owing to the strong interaction between the edge atoms of h-BN and the underlying substrates. On FCC(111), the h-BN domains are always aligned in parallel orientations, while on HCP(0001) they are parallel on the same terrace and anti-parallel on neighboring terraces. Beyond this, on the (111) surfaces of Ir and Rh, the BhNt configuration is much more energy favorable than BfNt, where, the subscripts h, t, and f represent the adsorption sites, hcp, top and fcc, respectively. Thus, Ir(111) and Rh(111) might promote the growth of h-BN domains with the same alignments, which will greatly improve the quality of h-BN by reducing the possibility of formation of grain boundaries.; National Science Foundation of China [21303041, 21373015]; National Science Foundation of Henan Province [162300410116]; Science and Technology of Henan Province [152102210109]; Hong Kong General Research Grants [GRF 514511, 500413, 15300214]; Program for Innovative Research Team of Henan Polytechnic University [T2016-2]; Special Program for Applied Research on Super Computation of the NSFC-Guangdong Joint Fund (the second phase); Beijing National Laboratory for Molecular Sciences [BNLMS20150144]; SCI(E); ARTICLE; 10; 3561-3567; 9
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/476180]
专题	化学与分子工程学院
推荐引用方式 GB/T 7714	Zhao, Ruiqi,Zhao, Xiaolei,Liu, Zhirong,et al. Controlling the orientations of h-BN during growth on transition metals by chemical vapor deposition[J]. NANOSCALE,2017.
APA	Zhao, Ruiqi,Zhao, Xiaolei,Liu, Zhirong,Ding, Feng,&Liu, Zhongfan.(2017).Controlling the orientations of h-BN during growth on transition metals by chemical vapor deposition.NANOSCALE.
MLA	Zhao, Ruiqi,et al."Controlling the orientations of h-BN during growth on transition metals by chemical vapor deposition".NANOSCALE (2017).