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Issue 5, 2004
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Hydrogen storage by physisorption on nanostructured graphite platelets

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Abstract

The physisorption energy of molecular hydrogen (H2) on flat carbon nanoparticles (graphitic platelets) and polycyclic aromatic hydrocarbons (PAHs) is determined to be attractive between 3.5 and 7.2 kJ mol−1, depending on the orientation of H2 and on the particle size. Entropy, estimated from experimental data, reduces the interaction energy by 3.4 kJ mol−1 at room temperature. Therefore, nanostructured graphitic platelets might be suitable for hydrogen storage. Computations have been carried out for PAHs from benzene to coronene using second order Møller–Plesset (MP2) theory at the basis set limit, and the results are extrapolated to graphene layers.

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Article information


Submitted
12 Dec 2003
Accepted
12 Jan 2004
First published
04 Feb 2004

Phys. Chem. Chem. Phys., 2004,6, 980-984
Article type
Paper

Hydrogen storage by physisorption on nanostructured graphite platelets

T. Heine, L. Zhechkov and G. Seifert, Phys. Chem. Chem. Phys., 2004, 6, 980
DOI: 10.1039/B316209E

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