Please use this identifier to cite or link to this item: http://hdl.handle.net/10397/68569
Title: Controlling the orientations of h-BN during growth on transition metals by chemical vapor deposition
Authors: Zhao, RQ
Zhao, XL
Liu, ZR
Ding, F 
Liu, ZF
Issue Date: 2017
Publisher: Royal Society of Chemistry
Source: Nanoscale, 2017, v. 9, no. 10, p. 3561-3567 How to cite?
Journal: Nanoscale 
Abstract: 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.
URI: http://hdl.handle.net/10397/68569
ISSN: 2040-3364
EISSN: 2040-3372
DOI: 10.1039/c6nr09368j
Appears in Collections:Journal/Magazine Article

Access
View full-text via PolyU eLinks SFX Query
Show full item record

Page view(s)

112
Last Week
74
Last month
Checked on Sep 17, 2017

Google ScholarTM

Check

Altmetric



Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.