Tunable Adsorption and Desorption of Hydrogen Atoms on Single-Walled Carbon Nanotubes

Chin. Phys. Lett.

2002, Vol. 19

Issue (10): 1498-1500 DOI:

Original Articles

Tunable Adsorption and Desorption of Hydrogen Atoms on Single-Walled Carbon Nanotubes

ZHAO Ming-Wen¹;XIA Yue-Yuan¹;MA Yu-Chen²;YING Min-Ju²;LIU Xiang-Dong¹;MEI Liang-Mo²

¹Department of Physics, Shandong University, Ji’nan 250100 ²Department of Optoelectronics, Shandong University, Ji’nan 250100

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ZHAO Ming-Wen, XIA Yue-Yuan, MA Yu-Chen et al 2002 Chin. Phys. Lett. 19 1498-1500

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Abstract Chemical adsorption and desorption of hydrogen atoms on single-walled carbon nanotubes (SWNTs) are investigated by using molecular dynamics simulations. It is found that the adsorption and desorption energy of hydrogen atoms depend on the hydrogen coverage and the diameter of the SWNTs. Hydrogen-adsorption geometry at the coverage of 1.0 is more energetically stable. The adsorption energy decreases with the increasing diameter of the armchair tubes. The adsorption and desorption energy of hydrogen atoms can be modified reversibly by externally radial deformation. The averaged C-H bond energy on the high curvature sites of the deformed tube increases with increasing radial deformation, while that on the low curvature sites decreases.

Keywords: 68.43.Fg 61.46.+w 36.40.-c

Published: 01 October 2002

PACS:	68.43.Fg	(Adsorbate structure (binding sites, geometry))
	61.46.+w
	36.40.-c	(Atomic and molecular clusters)

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https://cpl.iphy.ac.cn/ OR https://cpl.iphy.ac.cn/Y2002/V19/I10/01498

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	XIA Yue-Yuan
	MA Yu-Chen
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	MEI Liang-Mo

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