Hydrogen storage in nanoporous carbon materials: Myth and facts

Kowalczyk, P, Holystr, R, Terrones, M and Terrones, H 2007, 'Hydrogen storage in nanoporous carbon materials: Myth and facts', Physical Chemistry Chemical Physics, vol. 9, no. 15, pp. 1786-1792.


Document type: Journal Article
Collection: Journal Articles

Title Hydrogen storage in nanoporous carbon materials: Myth and facts
Author(s) Kowalczyk, P
Holystr, R
Terrones, M
Terrones, H
Year 2007
Journal name Physical Chemistry Chemical Physics
Volume number 9
Issue number 15
Start page 1786
End page 1792
Total pages 7
Publisher Royal Society of Chemistry
Abstract We used Grand canonical Monte Carlo simulation to model the hydrogen storage in the primitive, gyroid, diamond, and quasi-periodic icosahedral nanoporous carbon materials and in carbon nanotubes. We found that none of the investigated nanoporous carbon materials satisfy the US Department of Energy goal of volumetric density and mass storage for automotive application (6 wt% and 45 kg H2 m-3) at considered storage condition. Our calculations indicate that quasi-periodic icosahedral nanoporous carbon material can reach the 6 wt% at 3.8 MPa and 77 K, but the volumetric density does not exceed 24 kg H2 m-3. The bundle of single-walled carbon nanotubes can store only up to 4.5 wt%, but with high volumetric density of 42 kg H2 m-3. All investigated nanoporous carbon materials are not effective against compression above 20 MPa at 77 K because the adsorbed density approaches the density of the bulk fluid. It follows from this work that geometry of carbon surfaces can enhance the storage capacity only to a limited extent. Only a combination of the most effective structure with appropriate additives (metals) can provide an efficient storage medium for hydrogen in the quest for a source of "clean" energy.
Subject Condensed Matter Physics not elsewhere classified
DOI - identifier 10.1039/b618747a
ISSN 1463-9076
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