Gas adsorption on the Zn-, Pd- and Os-doped armchair (5,5) single-walled carbon nanotubes
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Updated: Jun 2, 2026
Dry Oxidation and Vacuum Annealing Treatments for Tuning the Wetting Properties of Carbon Nanotube Arrays
Published on: April 15, 2013
Chanukorn Tabtimsai1, Somchai Keawwangchai, Banchob Wanno
1Center of Excellence for Innovation in Chemistry and Department of Chemistry, Faculty of Science, Mahasarakham University, Mahasarakham, Thailand.
Abstract:
The adsorption of NO(2), NH(3), H(2)O, CO(2) and H(2) gases on the undoped, Zn-, Pd- and Os-doped armchair (5,5) single-walled carbon nanotubes (SWCNTs) were studied using density functional method. The adsorptions of these five gases on the Zn-, Pd- and Os-doped SWCNTs are obviously stronger than on the undoped SWCNT and their adsorption abilities are in the same order: NO(2) > NH(3) > H(2)O > CO(2) > H(2). Adsorption energies for all the studied gases on the undoped, Zn-, Pd- and Os-doped SWCNTs computed at the B3LYP/LanL2DZ level are reported.
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