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Structural Stability and Elastic Properties of Bilayer Graphenes and Boron Nitride Nanosheets

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成果类型:
期刊论文
作者:
Yuan, Jianhui*;Liao, Jiaxin;Yang, Changhu;Shi, Xianghua
通讯作者:
Yuan, Jianhui
作者机构:
[Yuan, Jianhui; Yang, Changhu; Shi, Xianghua; Liao, Jiaxin] Changsha Univ Sci & Technol, Sch Phys & Elect Sci, Changsha 410114, Hunan, Peoples R China.
[Yuan, Jianhui] Changsha Univ Sci & Technol, Inst Nanomat & Nanostruct, Changsha 410114, Hunan, Peoples R China.
通讯机构:
[Yuan, Jianhui] C
Changsha Univ Sci & Technol, Sch Phys & Elect Sci, Changsha 410114, Hunan, Peoples R China.
语种:
英文
关键词:
Bilayer nanosheets;Chemical bond;Elastic property;Molecular dynamics;Structural stability
期刊:
Current Nanoscience
ISSN:
1573-4137
年:
2013
卷:
9
期:
3
页码:
324-329
基金类别:
Scientific Research Fund of Hunan Provincial Education Department, ChinaHunan Provincial Education Department [12A001]; Hunan Province Science and Technology Program [2012FJ4254]; National Natural Science FoundationNational Natural Science Foundation of China (NSFC) [61101009]; Construct Program of the Key Discipline in Hunan Province and Aid Program for Science; Technology Innovative Research Team in Higher Educational Institutions of Hunan Province, China
机构署名:
本校为第一且通讯机构
院系归属:
物理与电子科学学院
摘要:
The bilayer structures of graphenes and boron nitride nanosheets (BNNSs) with different interlayer spacings are optimized, and their Young's moduli are calculated using the molecular dynamics method. The optimized results indicate that the optimal interlayer distances are about 0.343 nm for bilayer graphenes and 0.354 nm for bilayer BNNSs. A comparison of the binding energy, van der Waals interactions between layers, and radial distribution function (RDF) revealed that bilayer BNNSs can achieve a more stable combined structure than bilayer grap...

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