IMECH-IR  > 力学所知识产出(1956-2008)
碳纳米管填充和润湿的密度泛函研究
崔树稳; 朱如曾; 闫红
Source Publication中国数学力学物理学高新技术交叉研究学会第十二届学术年会论文集
2008
Pages190-193
Conference Name中国数学力学物理学高新技术交叉研究学会第十二届学术年会
Conference Date2008-8-1
Conference Place中国四川峨眉山
Abstract本文采用第一原理方法中的局域密度泛函理论,以碳、硫、硒为例,研究了这些原子在碳纳米管的填充和润湿。研究结果表明对填充和润湿,碳纳米管的管径有影响, 而长度在超过3.6埃后几乎无影响。这些结论基本符合已知的实验事实,因此对碳纳米管的未来应用有一定的参考价值。
Keyword碳纳米管 密度泛函理论 填充 润湿
Department力学所
Language中文
Document Type会议论文
Identifierhttp://dspace.imech.ac.cn/handle/311007/48178
Collection力学所知识产出(1956-2008)
Recommended Citation
GB/T 7714
崔树稳,朱如曾,闫红. 碳纳米管填充和润湿的密度泛函研究[C]中国数学力学物理学高新技术交叉研究学会第十二届学术年会论文集,2008:190-193.
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