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 -