Year: 2012
Author: Xiu-Ying Liu, Li-Ying Zhang, Xiao-Feng Li, Guang-Sheng Kang, Zhi-Qin Fan
Journal of Atomic and Molecular Sciences, Vol. 3 (2012), Iss. 4 : pp. 367–374
Abstract
We have applied the grand canonical Monte Carlo method (GCMC) to investigate the physisorption properties of hydrogen storage in $BC_3$ and carbon nanotubes, respectively. Some important physical amounts under different temperatures and pressures, such as adsorption isotherms and adsorption amounts were studied. The results show that, the physisorption properties of $BC_3$ nanotube are superior to those of carbon nanotube at all conditions. The main reasons causing such different results between them were analyzed from the interaction energies among nanotubes and $H_2$ molecules.
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Journal Article Details
Publisher Name: Global Science Press
Language: English
DOI: https://doi.org/10.4208/jams.121011.011412a
Journal of Atomic and Molecular Sciences, Vol. 3 (2012), Iss. 4 : pp. 367–374
Published online: 2012-01
AMS Subject Headings: Global Science Press
Copyright: COPYRIGHT: © Global Science Press
Pages: 8
Keywords: $BC_3$ nanotube hydrogen storage grand canonical Monte Carlo method (GCMC).