Theoretical Comparative Study on Hydrogen Storage of $BC_3$ and Carbon Nanotubes

Authors

  • Xiu-Ying Liu College of Science, Henan University of Technology, Zhengzhou 450001, China
  • Li-Ying Zhang College of Science, Henan University of Technology, Zhengzhou 450001, China
  • Xiao-Feng Li College of Physics and Electronic Information, Luoyang Normal University, Luoyang 471022, China
  • Guang-Sheng Kang College of Science, Henan University of Technology, Zhengzhou 450001, China
  • Zhi-Qin Fan College of Science, Henan University of Technology, Zhengzhou 450001, China

DOI:

https://doi.org/10.4208/jams.121011.011412a

Keywords:

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

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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Published

2012-03-01

Issue

Vol. 3 No. 4 (2012)

Section

Articles