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Phys. Rev. B 63, 115422 (2001) [6 pages]

Effective hydrogen storage in single-wall carbon nanotubes

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Yuchen Ma1, Yueyuan Xia2,*, Mingwen Zhao1, Ruijin Wang1, and Liangmo Mei2
1Department of Optoelectronics and Information Engineering, Shandong University, Jinan 250100, People’s Republic of China
2Department of Physics, Shandong University, Jinan 250100, People’s Republic of China

Received 27 September 2000; published 2 March 2001

The hydrogen-storage behavior of single-wall carbon nanotubes was studied using molecular dynamics simulations and ab initio electronic calculations. Hydrogen atoms with kinetic energy of 16–25 eV were observed to penetrate into and be trapped inside the tube. Consecutively injected H atoms form hydrogen molecules, and gradually condense to become liquid hydrogen in the tube. The density of injected hydrogen in the tube and the pressure on the wall of the nanotube induced by the stored hydrogen molecules were evaluated at room temperature.

© 2001 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.63.115422
DOI:
10.1103/PhysRevB.63.115422
PACS:
61.46.+w, 36.40.-c, 61.48.+c

*Corresponding author. Fax: 86-531-8565167. Email address: yyxia@sdunetnms.sdu.edu.cn

 
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