二段或四段BN/C纳米管的结构、稳定性和电子性能

2012 12th International Conference on Numerical Simulation of Optoelectronic Devices (NUSOD) Pub Date : 2012-10-02 DOI:10.1109/NUSOD.2012.6316526

Chaoyu He, C. X. Zhang, H. Xiao, L. Sun, J. Zhong

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引用次数: 0

摘要

利用基于第一性原理计算的密度泛函理论，系统地研究了几种新型二段或四段BN/C纳米管的结构、稳定性和电子性能。我们的计算表明，这些杂化纳米管的结构、稳定性和电子特性取决于它们的直径、成分和杂化方式。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Structures, stability and electronic properties of two- or four-segment BN/C nanotubes

The structures, stability and electronic properties of some novel two- or four-segments BN/C nanotubes are systematically investigated using the density functional theory based first-principle calculations. Our calculations reveal that the structures, stability and electronic properties of these hybridized nanotubes are dependent on their diameters, compositions and hybridizing manners.

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2012 12th International Conference on Numerical Simulation of Optoelectronic Devices (NUSOD)

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