Initial growth of single-walled carbon nanotubes on supported iron clusters:: a molecular dynamics study

被引:10
作者
Duan, H. [1 ]
Ding, F.
Rosen, A.
Harutyunyan, A.
Tokune, T.
Curtarolo, S.
Bolton, K.
机构
[1] Gothenburg Univ, Dept Phys, S-41296 Gothenburg, Sweden
[2] Rice Univ, ME&MS Dept, Houston, TX 77005 USA
[3] Honda Res Inst USA Inc, Columbus, OH 43212 USA
[4] Duke Univ, ME&MS, Durham, NC 27708 USA
[5] Univ Coll Boras, Sch Engn, S-50190 Boras, Sweden
关键词
ORIENTATION; LONG;
D O I
10.1140/epjd/e2007-00109-6
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
Molecular dynamics simulations were used to study the initial growth of single-walled carbon nanotubes (SWNTs) on a supported iron cluster (Fe-50). Statistical analysis shows that the growth direction of SWNTs becomes more perpendicular to the substrate over time due to the weak interaction between carbon nanotube and the substrate. The diameter of the nanotube also increases with the simulation time and approaches the size of the supported iron cluster.
引用
收藏
页码:185 / 188
页数:4
相关论文
共 32 条
[21]   INTERSTITIALS + VACANCIES IN ALPHA IRON [J].
JOHNSON, RA .
PHYSICAL REVIEW A-GENERAL PHYSICS, 1964, 134 (5A) :1329-&
[22]   Vectorial growth of metallic and semiconducting single-wall carbon nanotubes [J].
Joselevich, E ;
Lieber, CM .
NANO LETTERS, 2002, 2 (10) :1137-1141
[23]   Control of growth orientation for carbon nanotubes [J].
Lee, KH ;
Cho, JM ;
Sigmund, W .
APPLIED PHYSICS LETTERS, 2003, 82 (03) :448-450
[24]   A simple combinatorial method to discover Co-Mo binary catalysts that grow vertically aligned single-walled carbon nanotubes [J].
Noda, Suguru ;
Sugime, Hisashi ;
Osawa, Toshio ;
Tsuji, Yoshiko ;
Chiashi, Shohel ;
Murakami, Yoichi ;
Maruyama, Shigeo .
CARBON, 2006, 44 (08) :1414-1419
[25]   Aligned arrays of carbon nanotubes: modulation of orientation and selected-area growth [J].
Orlanducci, S ;
Sessa, V ;
Terranova, ML ;
Rossi, M ;
Manno, D .
CHEMICAL PHYSICS LETTERS, 2003, 367 (1-2) :109-115
[26]   Growth of carbon nanotubes on metal nanoparticles: A microscopic mechanism from ab initio molecular dynamics simulations [J].
Raty, JY ;
Gygi, F ;
Galli, G .
PHYSICAL REVIEW LETTERS, 2005, 95 (09)
[27]   THERMODYNAMICAL AND STRUCTURAL-PROPERTIES OF FCC TRANSITION-METALS USING A SIMPLE TIGHT-BINDING MODEL [J].
ROSATO, V ;
GUILLOPE, M ;
LEGRAND, B .
PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, 1989, 59 (02) :321-336
[28]   INTERACTIONS OF IRON IMPLANTS IN TRANSITION-METALS [J].
STANEK, J ;
MAREST, G ;
JAFFREZIC, H ;
BINCZYCKA, H .
PHYSICAL REVIEW B, 1995, 52 (11) :8414-8422
[29]   A reactive potential for hydrocarbons with intermolecular interactions [J].
Stuart, SJ ;
Tutein, AB ;
Harrison, JA .
JOURNAL OF CHEMICAL PHYSICS, 2000, 112 (14) :6472-6486
[30]   NEGATIVELY CURVED GRAPHITIC SHEET MODEL OF AMORPHOUS-CARBON [J].
TOWNSEND, SJ ;
LENOSKY, TJ ;
MULLER, DA ;
NICHOLS, CS ;
ELSER, V .
PHYSICAL REVIEW LETTERS, 1992, 69 (06) :921-924