Open AccessComparative theoretical study of hydrogen storage in single-walled boron-nitride and carbon nanotubes
Author(s) -
Xiuying Liu,
Wang Chaoyang,
Yongjian Tang,
Sun Weiguo,
WU Wei-dong,
Zhang Hou-Qiong,
Liu Miao,
Lei Yuan,
Jiajing Xu
Publication year - 2009
Publication title -
acta physica sinica
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.58.1126
Subject(s) - physisorption , carbon nanotube , boron nitride , materials science , hydrogen storage , hydrogen , chirality (physics) , nanotube , nanotechnology , boron , chemical engineering , chemical physics , composite material , chemistry , adsorption , organic chemistry , physics , chiral symmetry breaking , alloy , quantum mechanics , quark , nambu–jona lasinio model , engineering
Using the grand canonical Monte Carlo simulations (GCMC), the physisorption storage of hydrogen in single-walled boron-nitride nanotubes (SWBNNTs) and single-walled carbon nanotubes (SWCNTs) is studied. The influences of nanotube diameter, temperature and chirality on physisorptions in SWBNNTs and SWCNTs are mainly investigated comparatively. The results show that, the physisorption properties of SWBNNTS are superior to those of SWCNTS at lower temperatures; however, with the increasing of temperature, the differences between them become smaller. The physisorption amounts of SWBNNTs are comparable with those of SWCNTs at ambient temperature, which are only slightly larger than SWCNTs under higher pressures; a reasonable theoretical explanation is also given. In addition, with respect to the influences of temperature, tube diameter and chirality on physisorptions of hydrogen storage, the SWBNNTs have the same trend as the SWCNTs.
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