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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