共 1 条
- [1] Solid-Solid phase transitions and soft phonon modes in highly condensed Si .2 K.J. Chang,M.L. Cohen. Physical Review B . 1985
Coronal multi-walled silicon nanotubes
被引：0
作者：
Yuanshuai Zhu
[1
]
Zhibei Qu
[1
,2
]
Guilin Zhuang
[1
]
Wulin Chen
[1
]
Jianguo Wang
[1
]
机构：
[1] Institute of Industrial Catalysis,College of Chemical Engineering and Materials Science,Zhejiang University of Technology
[2] Department of Chemistry,East China Normal University
基金：
中国国家自然科学基金;
关键词：
multi-walled silicon nanotubes(MWSiNTs);
structural stability;
electronic property;
Young’s modulus;
D O I：
暂无
中图分类号：
TB383.1 [];
O613.72 [硅Si];
学科分类号：
070205 ;
070301 ;
080501 ;
081704 ;
1406 ;
摘要：
By means of first-principles density functional theory(DFT) calculations and molecular dynamics(MD) simulations,a series of coronal multi-walled silicon nanotubes(MWSiNTs) without or with hydrogen terminations are systematically identified.Notably,coronal MWSiNTs,where the interaction between the walls is preferable through covalent bonds rather than weak interaction,show better stability than CNT-like SiNTs. Moreover,they exhibit good elasticity with small Young’s modulus.The investigation of the electronic structure demonstrates that they present metallic characteristics,which is in striking contrast to bulk silicon.Thus,the MWSiNTs may find important applications in electronic devices.
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页码：408 / 412
页数：5
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