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
1 Department of Physics, Shandong University, Ji’nan 250100
2 Department of Optoelectronics, Shandong University, Ji’nan 250100
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
1 Department of Physics, Shandong University, Ji’nan 250100
2 Department of Optoelectronics, Shandong University, Ji’nan 250100
关键词 ：
68.43.Fg ,
61.46.+w ,
36.40.-c
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.
Key words ：
68.43.Fg
61.46.+w
36.40.-c
出版日期: 2002-10-01
引用本文:
ZHAO Ming-Wen;XIA Yue-Yuan;MA Yu-Chen;YING Min-Ju;LIU Xiang-Dong;MEI Liang-Mo. Tunable Adsorption and Desorption of Hydrogen Atoms on Single-Walled Carbon Nanotubes[J]. 中国物理快报, 2002, 19(10): 1498-1500.
链接本文:
https://cpl.iphy.ac.cn/CN/
或
https://cpl.iphy.ac.cn/CN/Y2002/V19/I10/1498
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