Stable configurations of C-20 and C-28 encapsulated in single wall carbon nanotubes

doi:10.1088/0957-4484/17/8/014

	Stable configurations of C-20 and C-28 encapsulated in single wall carbon nanotubes
	Zhou, L ; Pan, ZY ; Wang, YX ; Zhu, J ; Liu, TJ ; Jiang, XM
刊名	NANOTECHNOLOGY
	2006-04-28
卷号	17 页码:1891-1894
ISSN号	0957-4484
DOI	10.1088/0957-4484/17/8/014
英文摘要	The stable configurations of small fullerenes (C-20 and C-28) encapsulated inside single wall carbon nanotubes (SWNTs) of different diameters were investigated by molecular dynamics simulations. The interactions between carbon atoms were described by a combination of the many-body Brenner potential with the Lennard-Jones (LJ) potential. We observed that the filling of small fullerenes into nanotubes with diameters larger than 10.85 angstrom (( 8, 8) SWNT) is an exothermic process. During the annealing process the fullerenes arrange themselves into complex phases, which may be one-( chain), two-(zigzag) or three-dimensional, depending on the tube diameter. This tube size dependence is very similar to that of C-60, which has been experimentally observed. A comparison with the prediction of the hard-sphere model also finds a satisfactory level of consistency, indicating the dense packing nature of fullerene configurations in SWNTs.
WOS关键词	C-60 ; DIAMOND ; SIMULATIONS
WOS研究方向	Science & Technology - Other Topics ; Materials Science ; Physics
语种	英语
出版者	IOP PUBLISHING LTD
WOS记录号	WOS:000237813000015
内容类型	期刊论文
源URL	[http://119.78.100.186/handle/113462/26963]
专题	中国科学院近代物理研究所
通讯作者	Pan, ZY
作者单位	1.Fudan Univ, Inst Modern Phys, Shanghai 200433, Peoples R China 2.State Key Lab Adv Photon Mat & Devices, Shanghai 200433, Peoples R China
推荐引用方式 GB/T 7714	Zhou, L,Pan, ZY,Wang, YX,et al. Stable configurations of C-20 and C-28 encapsulated in single wall carbon nanotubes[J]. NANOTECHNOLOGY,2006,17:1891-1894.
APA	Zhou, L,Pan, ZY,Wang, YX,Zhu, J,Liu, TJ,&Jiang, XM.(2006).Stable configurations of C-20 and C-28 encapsulated in single wall carbon nanotubes.NANOTECHNOLOGY,17,1891-1894.
MLA	Zhou, L,et al."Stable configurations of C-20 and C-28 encapsulated in single wall carbon nanotubes".NANOTECHNOLOGY 17(2006):1891-1894.