C72 (or C120) cluster growth from C-36 (or C-60) clusters

doi:10.1016/j.theochem.2006.12.032

	C72 (or C120) cluster growth from C-36 (or C-60) clusters
	Wang, Yin ; Zhuang, Jun ; Ma, Mei-Zhong ; Ning, Xi-Jing
刊名	JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
	2007-04-01
卷号	807 页码:201-206
关键词	C-36 C-60 dimerization cluster dimer
ISSN号	0166-1280
DOI	10.1016/j.theochem.2006.12.032
英文摘要	We suggest fabricating larger clusters of equal size by dimerizing smaller ones, and performed molecular dynamics simulations with Brenner potential on C72 (or C120) cluster growth from C-36 (or C-60) clusters in He atmosphere at temperatures between 100 and 4000 K, showing that the resultant clusters may be dumbbell, pod or ball shape, depending on the ambient temperatures. Optimized by the Hartree-Fock method, these final structures keep nearly unchanged. The dimerizing dynamics was found to approximately satisfy the Arrhenius law and the activation energy for C-60, 1.860 eV, is close to previous measurement. (C) 2006 Elsevier B.V. All rights reserved.
WOS关键词	CARBON ; GAS ; ISOMERS ; ENTROPY ; ENERGY
WOS研究方向	Chemistry
语种	英语
出版者	ELSEVIER SCIENCE BV
WOS记录号	WOS:000245698600027
内容类型	期刊论文
源URL	[http://119.78.100.186/handle/113462/27630]
专题	中国科学院近代物理研究所
通讯作者	Ning, Xi-Jing
作者单位	1.Fudan Univ, Inst Modern Phys, Appl Ion Beam Phys Lab, Shanghai 200433, Peoples R China 2.Fudan Univ, Dept Opt Sci & Engn, Shanghai 200433, Peoples R China
推荐引用方式 GB/T 7714	Wang, Yin,Zhuang, Jun,Ma, Mei-Zhong,et al. C72 (or C120) cluster growth from C-36 (or C-60) clusters[J]. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM,2007,807:201-206.
APA	Wang, Yin,Zhuang, Jun,Ma, Mei-Zhong,&Ning, Xi-Jing.(2007).C72 (or C120) cluster growth from C-36 (or C-60) clusters.JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM,807,201-206.
MLA	Wang, Yin,et al."C72 (or C120) cluster growth from C-36 (or C-60) clusters".JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 807(2007):201-206.