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Volume 3, Issue 4
Theoretical Comparative Study on Hydrogen Storage of $BC_3$ and Carbon Nanotubes

Xiu-Ying Liu, Li-Ying Zhang, Xiao-Feng Li, Guang-Sheng Kang & Zhi-Qin Fan

DOI: 10.4208/jams.121011.011412a

J. At. Mol. Sci., 3 (2012), pp. 367-374.

Published online: 2012-03

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  • 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.

  • Keywords

$BC_3$ nanotube, hydrogen storage, grand canonical Monte Carlo method (GCMC).

  • AMS Subject Headings

  • Copyright

COPYRIGHT: © Global Science Press

  • Email address

liuxiuyingzx@126.com (Xiu-Ying Liu)

  • BibTex
  • RIS
  • TXT
@Article{JAMS-3-367, author = {Liu , Xiu-YingZhang , Li-YingLi , Xiao-FengKang , Guang-Sheng and Fan , Zhi-Qin}, title = {Theoretical Comparative Study on Hydrogen Storage of $BC_3$ and Carbon Nanotubes}, journal = {Journal of Atomic and Molecular Sciences}, year = {2012}, volume = {3}, number = {4}, pages = {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.

}, issn = {2079-7346}, doi = {https://doi.org/10.4208/jams.121011.011412a}, url = {http://global-sci.org/intro/article_detail/jams/8217.html} }
TY - JOUR T1 - Theoretical Comparative Study on Hydrogen Storage of $BC_3$ and Carbon Nanotubes AU - Liu , Xiu-Ying AU - Zhang , Li-Ying AU - Li , Xiao-Feng AU - Kang , Guang-Sheng AU - Fan , Zhi-Qin JO - Journal of Atomic and Molecular Sciences VL - 4 SP - 367 EP - 374 PY - 2012 DA - 2012/03 SN - 3 DO - http://doi.org/10.4208/jams.121011.011412a UR - https://global-sci.org/intro/article_detail/jams/8217.html KW - $BC_3$ nanotube, hydrogen storage, grand canonical Monte Carlo method (GCMC). AB -

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.

Liu , Xiu-YingZhang , Li-YingLi , Xiao-FengKang , Guang-Sheng and Fan , Zhi-Qin. (2012). Theoretical Comparative Study on Hydrogen Storage of $BC_3$ and Carbon Nanotubes. Journal of Atomic and Molecular Sciences. 3 (4). 367-374. doi:10.4208/jams.121011.011412a
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