Magic carbon clusters in the chemical vapor deposition growth of graphene

Qinghong Yuan; Junfeng Gao; Haibo Shu; Jijun Zhao; Xiaoshuang Chen; Feng Ding

doi:10.1021/ja2050875

Magic carbon clusters in the chemical vapor deposition growth of graphene

Qinghong Yuan
, Junfeng Gao
, Haibo Shu
, Jijun Zhao^*
, Xiaoshuang Chen
, Feng Ding

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

146 Scopus citations

Abstract

Ground-state structures of supported C clusters, C _N (N = 16,⋯, 26), on four selected transition metal surfaces [Rh(111), Ru(0001), Ni(111), and Cu(111)] are systematically explored by ab initio calculations. It is found that the core-shell structured C ₂₁, which is a fraction of C ₆₀ possessing three isolated pentagons and C _3v symmetry, is a very stable magic cluster on all these metal surfaces. Comparison with experimental scanning tunneling microscopy images, dI/dV curves, and cluster heights proves that C ₂₁ is the experimentally observed dominating C precursor in graphene chemical vapor deposition (CVD) growth. The exceptional stability of the C ₂₁ cluster is attributed to its high symmetry, core-shell geometry, and strong binding between edge C atoms and the metal surfaces. Besides, the high barrier of two C ₂₁ clusters dimerization explains its temperature-dependent behavior in graphene CVD growth.

Original language	English
Pages (from-to)	2970-2975
Number of pages	6
Journal	Journal of the American Chemical Society
Volume	134
Issue number	6
DOIs	https://doi.org/10.1021/ja2050875
State	Published - 15 Feb 2012
Externally published	Yes

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@article{42d474f77bf94d149de1e1a682019ced,

title = "Magic carbon clusters in the chemical vapor deposition growth of graphene",

abstract = "Ground-state structures of supported C clusters, C N (N = 16,⋯, 26), on four selected transition metal surfaces [Rh(111), Ru(0001), Ni(111), and Cu(111)] are systematically explored by ab initio calculations. It is found that the core-shell structured C 21, which is a fraction of C 60 possessing three isolated pentagons and C 3v symmetry, is a very stable magic cluster on all these metal surfaces. Comparison with experimental scanning tunneling microscopy images, dI/dV curves, and cluster heights proves that C 21 is the experimentally observed dominating C precursor in graphene chemical vapor deposition (CVD) growth. The exceptional stability of the C 21 cluster is attributed to its high symmetry, core-shell geometry, and strong binding between edge C atoms and the metal surfaces. Besides, the high barrier of two C 21 clusters dimerization explains its temperature-dependent behavior in graphene CVD growth.",

author = "Qinghong Yuan and Junfeng Gao and Haibo Shu and Jijun Zhao and Xiaoshuang Chen and Feng Ding",

year = "2012",

month = feb,

day = "15",

doi = "10.1021/ja2050875",

language = "英语",

volume = "134",

pages = "2970--2975",

journal = "Journal of the American Chemical Society",

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}

TY - JOUR

T1 - Magic carbon clusters in the chemical vapor deposition growth of graphene

AU - Yuan, Qinghong

AU - Gao, Junfeng

AU - Shu, Haibo

AU - Zhao, Jijun

AU - Chen, Xiaoshuang

AU - Ding, Feng

PY - 2012/2/15

Y1 - 2012/2/15

N2 - Ground-state structures of supported C clusters, C N (N = 16,⋯, 26), on four selected transition metal surfaces [Rh(111), Ru(0001), Ni(111), and Cu(111)] are systematically explored by ab initio calculations. It is found that the core-shell structured C 21, which is a fraction of C 60 possessing three isolated pentagons and C 3v symmetry, is a very stable magic cluster on all these metal surfaces. Comparison with experimental scanning tunneling microscopy images, dI/dV curves, and cluster heights proves that C 21 is the experimentally observed dominating C precursor in graphene chemical vapor deposition (CVD) growth. The exceptional stability of the C 21 cluster is attributed to its high symmetry, core-shell geometry, and strong binding between edge C atoms and the metal surfaces. Besides, the high barrier of two C 21 clusters dimerization explains its temperature-dependent behavior in graphene CVD growth.

AB - Ground-state structures of supported C clusters, C N (N = 16,⋯, 26), on four selected transition metal surfaces [Rh(111), Ru(0001), Ni(111), and Cu(111)] are systematically explored by ab initio calculations. It is found that the core-shell structured C 21, which is a fraction of C 60 possessing three isolated pentagons and C 3v symmetry, is a very stable magic cluster on all these metal surfaces. Comparison with experimental scanning tunneling microscopy images, dI/dV curves, and cluster heights proves that C 21 is the experimentally observed dominating C precursor in graphene chemical vapor deposition (CVD) growth. The exceptional stability of the C 21 cluster is attributed to its high symmetry, core-shell geometry, and strong binding between edge C atoms and the metal surfaces. Besides, the high barrier of two C 21 clusters dimerization explains its temperature-dependent behavior in graphene CVD growth.

UR - https://www.scopus.com/pages/publications/84863116704

U2 - 10.1021/ja2050875

DO - 10.1021/ja2050875

M3 - 文章

AN - SCOPUS:84863116704

SN - 0002-7863

VL - 134

SP - 2970

EP - 2975

JO - Journal of the American Chemical Society

JF - Journal of the American Chemical Society

IS - 6

ER -

Magic carbon clusters in the chemical vapor deposition growth of graphene

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