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Feng Ding
다차원 탄소재료 연구단
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The transition metal surface dependent methane decomposition in graphene chemical vapor deposition growth

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Title
The transition metal surface dependent methane decomposition in graphene chemical vapor deposition growth
Author(s)
Xinlan Wang; Qinghong Yuan; Jia Li; Feng Ding
Publication Date
2017-08
Journal
NANOSCALE, v.9, no.32, pp.11584 - 11589
Publisher
ROYAL SOC CHEMISTRY
Abstract
By using density-functional theory (DFT) calculations, the dissociation of CH4 on various metal surfaces, including Ni, Cu, Ru, Pd, Pt, Ir, Co, Au, and Rh, is systematically explored. For all the explored facecentered cubic (fcc) metal substrates, the (100) surface is found to be more active than the (111) surface, which explains the higher activity of the (100) surface in graphene chemical vapor deposition (CVD) growth. The catalytic activity order of these metals is found to be Ni approximate to Rh approximate to Co approximate to Ru > Pd approximate to Pt approximate to Ir > Cu > Au, which explained the catalyst type dependent growth behavior of graphene. It was found that the main dissociation product of CH4 on Ni, Pd, Pt, Ir, Rh, Co, and Ru substrates is a carbon monomer and a very high rate of dissociation is expected, but a low rate of dissociation and the dissociation products of CHi (i = 1, 2, 3) are expected on Cu and Au surfaces, which explained the diffusion-limited growth of graphene on Cu and Au surfaces and attachment limited growth on other active metal surfaces. Furthermore, our study shows that the dissociation of CH4 on all these metal substrates follows the well-known Bronsted-Evans-Polanyi (BEP) principles, or the reaction barrier is roughly linear to the reaction energy. This journal is © The Royal Society of Chemistry 2017 Published on 30 June 2017.
URI
https://pr.ibs.re.kr/handle/8788114/3880
ISSN
2040-3364
Appears in Collections:
Center for Multidimensional Carbon Materials(다차원 탄소재료 연구단) > Journal Papers (저널논문)
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