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APS » Journals » Phys. Rev. Lett. » Volume 85 » Issue 13
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Phys. Rev. Lett. 85, 2757–2760 (2000)

Adsorption and Desorption of an O2 Molecule on Carbon Nanotubes

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Xiao Yan Zhu1, Seung Mi Lee1, Young Hee Lee1,2,*, and Thomas Frauenheim3
1Department of Semiconductor Science and Technology, Jeonbuk National University, Jeonju 561-756, Korea
2Department of Physics and Semiconductor Physics Research Center, Jeonbuk National University, Jeonju 561-756, Korea
3Universität-GH Paderborn, Fachbereich Physik, Theoretische Physik, 33095 Paderborn, Germany

Received 22 February 2000; published in the issue dated 25 September 2000

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.

© 2000 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.85.2757
DOI:
10.1103/PhysRevLett.85.2757
PACS:
61.48.+c, 68.45.Da, 81.65.Mq, 82.30.-b

*Author to whom correspondence should be addressed. Email address: leeyh@sprc2.chonbuk.ac.kr

 
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