Electronic properties of oxidized carbon nanotubes

被引：380

作者：

Jhi, SH ^{[1
]}

Louie, SG

Cohen, ML

机构：

[1] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA

[2] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA

来源：

PHYSICAL REVIEW LETTERS | 2000年 / 85卷 / 08期

关键词：

D O I：

10.1103/PhysRevLett.85.1710

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The effect of oxygenation on the electronic properties of semiconducting carbon nanotubes is studied from first principles. The O-2 is found to bind to a single-walled nanotube with an adsorption energy of about 0.25 eV and to dope semiconducting nanotubes with hole carriers. Weak hybridization between carbon and oxygen is predicted for the valence-band edge states. The calculated density of states shows that weak coupling leads to conducting states near the band gap. The oxygen-induced gap closing for large-diameter semiconducting tubes is discussed as well. The influence of oxygen on the magnetic property is also addressed through a spin-polarized calculation and compared to experiment.

引用

页码：1710 / 1713

页数：4

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