Stabilizing Zigzag Single-Walled Silicon Nanotubes and Tailoring the Electronic Structures by Oxygen Atoms:  First-Principles Studies

The effects of oxygen atoms in stabilizing zigzag single-walled silicon nanotubes (SWSiNTs) have been studied by using first-principles calculations within density functional theory. The incorporation of oxygen atoms in the form of silicon monoxides into the (8,0)SWSiNT are found to not only stabili...

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Veröffentlicht in:	Journal of physical chemistry. C 2007-02, Vol.111 (7), p.2942-2946
Hauptverfasser:	Zhao, Mingwen, Zhu, John Zhonghua, Xia, Yueyuan, Lu, Max
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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