Preparation of long monatomic carbon chains: Molecular dynamics studies

被引：24

作者：

Wang, Yin ^{[1
]}

Ning, Xi-Jing ^{[1
]}

Lin, Zheng-Zhe ^{[1
]}

Li, Peng ^{[1
]}

Zhuang, Jun ^{[2
]}

机构：

[1] Fudan Univ, Inst Modern Phys, Minist Educ, Key Lab Appl Ion Beam Phys, Shanghai 200433, Peoples R China

[2] Fudan Univ, Dept Opt Sci & Engn, Shanghai 200433, Peoples R China

来源：

PHYSICAL REVIEW B | 2007年 / 76卷 / 16期

关键词：

D O I：

10.1103/PhysRevB.76.165423

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Molecular dynamics simulations based on the Brenner potential, a tight-binding method, and the Car-Parrinello algorithm were performed to explore the conditions for pulling out long monatomic chains from a graphite layer. The results show that the method of pulling, the ambient temperature, and the pulling speed are important factors. The simulations indicate that free monatomic carbon chains with macro length can be obtained at about 1000 K if the pulling speed is much lower than 30 m/s.

引用

页数：4

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