Magic Carbon Clusters in the Chemical Vapor Deposition Growth of Graphene
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 C21, which is a fraction of C60 possessing th...
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| Published in | Journal of the American Chemical Society Vol. 134; no. 6; pp. 2970 - 2975 |
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| Main Authors | , , , , , |
| Format | Journal Article |
| Language | English |
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United States
American Chemical Society
15.02.2012
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| 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 C21, which is a fraction of C60 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 C21 is the experimentally observed dominating C precursor in graphene chemical vapor deposition (CVD) growth. The exceptional stability of the C21 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 C21 clusters’ dimerization explains its temperature-dependent behavior in graphene CVD growth. |
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| AbstractList | 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. 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.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. 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 C21, which is a fraction of C60 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 C21 is the experimentally observed dominating C precursor in graphene chemical vapor deposition (CVD) growth. The exceptional stability of the C21 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 C21 clusters’ dimerization explains its temperature-dependent behavior in graphene CVD growth. Ground-state structures of supported C clusters, CN (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 C₂₁, which is a fraction of C₆₀ possessing three isolated pentagons and C₃ᵥ 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 C₂₁ is the experimentally observed dominating C precursor in graphene chemical vapor deposition (CVD) growth. The exceptional stability of the C₂₁ 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 C₂₁ clusters’ dimerization explains its temperature-dependent behavior in graphene CVD growth. |
| Author | Zhao, Jijun Ding, Feng Yuan, Qinghong Chen, Xiaoshuang Gao, Junfeng Shu, Haibo |
| AuthorAffiliation | Dalian University of Technology Chinese Academy of Sciences Hong Kong Polytechnic University |
| AuthorAffiliation_xml | – name: Chinese Academy of Sciences – name: Hong Kong Polytechnic University – name: Dalian University of Technology |
| Author_xml | – sequence: 1 givenname: Qinghong surname: Yuan fullname: Yuan, Qinghong – sequence: 2 givenname: Junfeng surname: Gao fullname: Gao, Junfeng – sequence: 3 givenname: Haibo surname: Shu fullname: Shu, Haibo – sequence: 4 givenname: Jijun surname: Zhao fullname: Zhao, Jijun email: tcfding@inet.polyu.edu.hk, zhaojj@dlut.edu.cn, xschen@mail.sitp.ac.cn – sequence: 5 givenname: Xiaoshuang surname: Chen fullname: Chen, Xiaoshuang email: tcfding@inet.polyu.edu.hk, zhaojj@dlut.edu.cn, xschen@mail.sitp.ac.cn – sequence: 6 givenname: Feng surname: Ding fullname: Ding, Feng email: tcfding@inet.polyu.edu.hk, zhaojj@dlut.edu.cn, xschen@mail.sitp.ac.cn |
| BackLink | https://www.ncbi.nlm.nih.gov/pubmed/22082182$$D View this record in MEDLINE/PubMed |
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| Snippet | 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)]... 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)]... Ground-state structures of supported C clusters, CN (N = 16, ..., 26), on four selected transition metal surfaces [Rh(111), Ru(0001), Ni(111), and Cu(111)] are... |
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| SubjectTerms | copper dimerization geometry graphene nickel scanning tunneling microscopy vapors |
| Title | Magic Carbon Clusters in the Chemical Vapor Deposition Growth of Graphene |
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