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Updated: Jul 8, 2026

Dry Oxidation and Vacuum Annealing Treatments for Tuning the Wetting Properties of Carbon Nanotube Arrays
Published on: April 15, 2013
Oxygen gas-induced lip-lip interactions on a double-walled carbon nanotube edge
Yong Soo Choi1, Kyung Ah Park, Changwook Kim
1Department of Physics, Institute of Basic Science, Center for Nanotubes and Nanostructured Composites, Sungkyunkwan University, Suwon 440-746, Korea.
Abstract:
We have investigated adsorption of an O(2) molecule on a double-walled carbon nanotube (DWCNT) edge using density functional theory calculations. An O(2) molecule adsorbs exothermally without an adsorption barrier at open nanotube edges that are energetically favorable with a large adsorption energy of about -9 eV in most cases. Dissociative adsorption of an O(2) molecule induces various spontaneous lip-lip interactions via the bridged carbon atoms, generating the closed tube ends. This explains why the DWCNTs are chemically more stable than the single-walled nanotubes during observed field emission experiments. The field emission takes place via the localized states of the bridged carbon atoms, not via those of the adsorbed oxygen atoms particularly in the armchair nanotubes. We also find that some O(2) precursor states exist as a bridge between tube edges.
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