CHINESE JOURNAL OF COMPUTATIONAL PHYSICS ›› 2003, Vol. 20 ›› Issue (3): 255-258.

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Computer Simulations of Hydrogen Storage in Single-walled Carbon Nanotubes

CHENG Jin-rong, YAN Hong, CHEN Yu, ZHANG Li-bo, ZHAO Li, HUANG De-cai, TANG Rui-hua   

  1. Department of Physics, Anhui University, Hefei 230039, China
  • Received:2002-03-18 Revised:2002-11-11 Online:2003-05-25 Published:2003-05-25

Abstract: The capability of hydrogen storage in zigzag single-walled carbon nanotubes is investigated.Relations of diameter and length with the hydrogen reserves and the distribution of hydrogen storage in single-walled carbon nanotubes are obtained.A new expression of hydrogen storage capability is presented.

Key words: single-walled carbon nanotube, hydrogen storage, grand canonical Monte Carlo method

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