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 - <p style="text-align: justify;">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.</p>