Nano Archive

Hydrogen sieving and storage in fullerene intercalated graphite

Kuc, Agnieszka and Zhechkov, Lyuben and Patchkovskii, Serguei and Seifert, Gotthard and Heine, Thomas (2007) Hydrogen sieving and storage in fullerene intercalated graphite. NANO LETTERS, 7 (1). pp. 1-5.

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Official URL: http://pubs.acs.org/doi/abs/10.1021/nl0619148

Abstract

The geometrical properties of recently synthesised C-60 intercalated in graphite have been confirmed by density-functional-based computer simulations. The capability of this material to store molecular hydrogen by physisorption is evaluated. While the material can sieve H-2 from heavier molecular gases, our free energy calculations indicate that further tuning of the system by reducing the amount of intercalated fullerene cages is necessary to achieve H-2 loadings which are interesting for technical applications.

Item Type:Article
Subjects:Physical Science > Nano objects
Material Science > Nanochemistry
ID Code:2801
Deposited By:Farnush Anwar
Deposited On:12 Jan 2009 13:15
Last Modified:12 Jan 2009 13:15

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