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
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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. |
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