中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
首页 机构 成果 学者
  
  1. CAS IR Grid
  2. 近代物理研究所
  3. 中国科学院近代物理研究所
C72 (or C120) cluster growth from C-36 (or C-60) clusters

文献类型：期刊论文

作者Wang, Yin; Zhuang, Jun; Ma, Mei-Zhong; Ning, Xi-Jing
刊名JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
出版日期2007-04-01
卷号807页码:201-206
关键词C-36 C-60 dimerization cluster dimer
ISSN号0166-1280
DOI10.1016/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
WOS记录号WOS:000245698600027
出版者ELSEVIER SCIENCE BV
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.

入库方式： OAI收割

来源：近代物理研究所

浏览0
下载0
收藏0
其他版本

除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。