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Jichen Dong
다차원 탄소재료 연구단
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How graphene crosses a grain boundary on the catalyst surface during chemical vapour deposition growth

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Title
How graphene crosses a grain boundary on the catalyst surface during chemical vapour deposition growth
Author(s)
Jichen Dong; Leining Zhang; Kaili Zhang; Feng Ding
Publication Date
2018-04
Journal
NANOSCALE, v.10, no.15, pp.6878 - 6883
Publisher
ROYAL SOC CHEMISTRY
Abstract
The chemical vapour deposition (CVD) growth of graphene is normally an epitaxial process, where the atomic structure of the adlayer should copy the texture of the substrate. However, it has been widely observed that single crystalline graphene grown on metal foil may cross a grain boundary (GB) of the substrate without forming any line defect, a necessary condition to change its crystalline orientation and maintain the structure registry with the substrate on the other side of the GB. Here, we present a comprehensive theoretical study on graphene growth behavior on polycrystalline metal substrates. Our density functional theory (DFT) calculations reveal that for graphene growth on most metal surfaces, the binding energy difference between the epitaxial and non-epitaxial graphene on the substrate is not large enough to compensate for the formation energy of a GB in graphene and therefore, during the CVD process, the growing graphene can pass through a GB on the metal surface without changing its crystalline orientation. Hence, graphene CVD growth cannot be strictly regarded as an epitaxial process; this conclusion is further verified by atomic simulations. The present study shows that the growth of graphene on a metal catalyst surface should be regarded rather as a quasi-epitaxial process, where a graphene domain is aligned only on the single crystalline metal facet on which it nucleates, but this structural registry with the metal substrate may be lost when the graphene crosses a GB on the metal surface This journal is © The Royal Society of Chemistry 2018
URI
https://pr.ibs.re.kr/handle/8788114/4596
ISSN
2040-3364
Appears in Collections:
Center for Multidimensional Carbon Materials(다차원 탄소재료 연구단) > Journal Papers (저널논문)
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