Please use this identifier to cite or link to this item: http://hdl.handle.net/10397/25091
Title: Role of hydrogen in graphene chemical vapor deposition growth on a copper surface
Authors: Zhang, X
Wang, L
Xin, J 
Yakobson, BI
Ding, F 
Issue Date: 2014
Source: Journal of the American Chemical Society, 2014, v. 136, no. 8, p. 3040-3047 How to cite?
Journal: Journal of the American Chemical Society 
Abstract: Synthesizing bilayer graphene (BLG), which has a band gap, is an important step in graphene application in microelectronics. Experimentally, it was broadly observed that hydrogen plays a crucial role in graphene chemical vapor deposition (CVD) growth on a copper surface. Here, by using ab initio calculations, we have revealed a crucial role of hydrogen in graphene CVD growth, terminating the graphene edges. Our study demonstrates the following. (i) At a low hydrogen pressure, the graphene edges are not passivated by H and thus tend to tightly attach to the catalyst surface. As a consequence, the diffusion of active C species into the area beneath the graphene top layer (GTL) is prohibited, and therefore, single-layer graphene growth is favored. (ii) At a high hydrogen pressure, the graphene edges tend to be terminated by H, and therefore, its detachment from the catalyst surface favors the diffusion of active C species into the area beneath the GTL to form the adlayer graphene below the GTL; as a result, the growth of BLG or few-layer graphene (FLG) is preferred. This insightful understanding reveals a crucial role of H in graphene CVD growth and paves a way for the controllable synthesis of BLG or FLG. Besides, this study also provides a reasonable explanation for the hydrogen pressure-dependent graphene CVD growth behaviors on a Cu surface.
URI: http://hdl.handle.net/10397/25091
ISSN: 0002-7863
DOI: 10.1021/ja405499x
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