Open AccessEffect of micropore on hydrogen adsorption of single walled carbon nanotubes
Author(s) -
Hong Zheng,
Shaoqing Wang,
Huhu Cheng
Publication year - 2005
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.54.4852
Subject(s) - adsorption , carbon nanotube , materials science , microporous material , hydrogen , chemical engineering , hydrogen storage , nanotechnology , carbon fibers , chemistry , composite material , organic chemistry , alloy , composite number , engineering
Using grand canonical ensemble Monte Carlo method,the effect of micropores,mainly the hollow cores of single-walled carbon nanotubes(SWNTs) and the interstitial channel among SWNTs,on the hydrogen adsorption of SWNTs was studied.Comparing with experimental observations,it was found that the hollow cores of SWNTs are the dominant sites for hydrogen adsorption,The overlap and efficiency of the adsorption potential inside a SWNT were analyzed,and it was found that the hydrogen adsorption capacity of the SWNTs is improved when the diameter of the SWNTs is around 2nm.The calculation also showed that the interstitial channel among SWNTs can become effective sites for hydrogen adsorption when the gap between two SWNTs increases.