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Role of Hydrogen in Graphene Chemical Vapor Deposition Growth on a Copper Surface
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.
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Self-citation
Metadata
- Authors
- Zhang, X., Wang, L., Xin, J., Yakobson, B. I., & Ding, F.
- Venue
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Published
- 2014-02-18
- Volume
- 136
- Issue
- 8
- Pages
- 3040-3047
- ISSN
- 0002-7863 (ISSN-L)
- 1520-5126
- OpenAlex
- W2318170937
- Cited by
- 284
- References
- 52
- FWCI
- 13.55
- Type
- journal article
- Language
- en
- Open access
- closed
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