Adsorption and desorption of an O2 molecule on carbon nanotubes

被引：165

作者：

Zhu, XY

Lee, SM

Lee, YH ^{[1
]}

Frauenheim, T

机构：

[1] Jeonbuk Natl Univ, Dept Semicond Sci & Technol, Jeonju 561756, South Korea

[2] Jeonbuk Natl Univ, Dept Phys, Jeonju 561756, South Korea

[3] Jeonbuk Natl Univ, Semicond Phys Res Ctr, Jeonju 561756, South Korea

[4] Univ Gesamthsch Paderborn, Fachbereich Phys, D-33095 Paderborn, Germany

来源：

PHYSICAL REVIEW LETTERS | 2000年 / 85卷 / 13期

关键词：

D O I：

10.1103/PhysRevLett.85.2757

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Adsorption and desorption of an oxygen molecule on carbon nanotubes are investigated using density functional calculations. Several precursor states exist at the edge of armchair nanotubes, whereas an exothermic adsorption takes place at the edge of zigzag nanotubes. We also estimate desorption barriers of a CO molecule from nanotubes as well as fullerenes and amorphous phases. Our calculations suggest that carbon nanotubes can survive selectively during the: oxidative etching process with a precise control of annealing temperature, in good agreement with experimental results of purification process of carbon nanotubes.

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页码：2757 / 2760

页数：4

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