A nanocontainer for the storage of hydrogen

X. Ye, X. Gu, X. G. Gong, Tony Kung Ming Shing, Zhi Feng Liu

Research output: Contribution to journalArticle

28 Citations (Scopus)

Abstract

Molecule hydrogen is known to have a weak van der Waals potential, which makes it difficult to raise its storage efficiency for physisorption based methods. In this report, we explore the other side of such a weak potential, the well-known compressibility of hydrogen. A (20, 0) single wall carbon nanotube based nanocontainer is designed, in which a C60 "peapod" at the cap section of the nanotube serves as a molecular valve. Diffusion barriers through such a valve is examined by molecular dynamics simulations under various conditions. It is demonstrated that H2 can first be filled into the container upon compression at low temperature, and then be locked inside it after the release of external pressure. The internal pressure that can be achieved in this design is in the GPa range at room temperature, which is much higher than the typical pressure of a few hundred bar currently employed for hydrogen storage. At 2.5 GPa, the storage weight ratio approaches a promising 7.7%.

Original languageEnglish
Pages (from-to)315-320
Number of pages6
JournalCarbon
Volume45
Issue number2
DOIs
Publication statusPublished - 2007 Feb 1
Externally publishedYes

Fingerprint

Hydrogen
Carbon Nanotubes
Physisorption
Diffusion barriers
Hydrogen storage
Compressibility
Nanotubes
Containers
Molecular dynamics
Carbon nanotubes
Compaction
Temperature
Molecules
Computer simulation

ASJC Scopus subject areas

  • Chemistry(all)

Cite this

Ye, X., Gu, X., Gong, X. G., Shing, T. K. M., & Liu, Z. F. (2007). A nanocontainer for the storage of hydrogen. Carbon, 45(2), 315-320. https://doi.org/10.1016/j.carbon.2006.09.026

A nanocontainer for the storage of hydrogen. / Ye, X.; Gu, X.; Gong, X. G.; Shing, Tony Kung Ming; Liu, Zhi Feng.

In: Carbon, Vol. 45, No. 2, 01.02.2007, p. 315-320.

Research output: Contribution to journalArticle

Ye, X, Gu, X, Gong, XG, Shing, TKM & Liu, ZF 2007, 'A nanocontainer for the storage of hydrogen', Carbon, vol. 45, no. 2, pp. 315-320. https://doi.org/10.1016/j.carbon.2006.09.026
Ye X, Gu X, Gong XG, Shing TKM, Liu ZF. A nanocontainer for the storage of hydrogen. Carbon. 2007 Feb 1;45(2):315-320. https://doi.org/10.1016/j.carbon.2006.09.026
Ye, X. ; Gu, X. ; Gong, X. G. ; Shing, Tony Kung Ming ; Liu, Zhi Feng. / A nanocontainer for the storage of hydrogen. In: Carbon. 2007 ; Vol. 45, No. 2. pp. 315-320.
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