TY - GEN
T1 - Hydrogen storage in carbon nanostructures
AU - Seifert, Gotthard
AU - Mesa, Aliezer M.
AU - Yurchenko, Sergei
AU - Zhechkov, Lyuben
AU - Heine, Thomas
AU - Patchkovski, Sergei
PY - 2009
Y1 - 2009
N2 - In this study structural characteristics of several carbon based nanostructures on the hydrogen abundance in the material are investigated with the quantized liquid density functional theory - QLDFT. We applied this theory to evaluate the hydrogen storage capacities of nanoporous materials: Compact storage of hydrogen is the key challenge facing adoption of hydrogen as fuel for mobile applications. A promising approach to increase the storage densities is the adsorption of molecular hydrogen in porous environments, where quantum effects may become significant, even at near-room temperatures. Although these systems can be treated with path-integral GCMC techniques, such simulations are elaborate and are not trivial to implement. We show that with our simplified approach one can study large variety of systems - both model and real - at equal footing.
AB - In this study structural characteristics of several carbon based nanostructures on the hydrogen abundance in the material are investigated with the quantized liquid density functional theory - QLDFT. We applied this theory to evaluate the hydrogen storage capacities of nanoporous materials: Compact storage of hydrogen is the key challenge facing adoption of hydrogen as fuel for mobile applications. A promising approach to increase the storage densities is the adsorption of molecular hydrogen in porous environments, where quantum effects may become significant, even at near-room temperatures. Although these systems can be treated with path-integral GCMC techniques, such simulations are elaborate and are not trivial to implement. We show that with our simplified approach one can study large variety of systems - both model and real - at equal footing.
UR - http://www.scopus.com/inward/record.url?scp=78649499188&partnerID=8YFLogxK
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M3 - Conference contribution
AN - SCOPUS:78649499188
SN - 9780841224414
T3 - ACS National Meeting Book of Abstracts
BT - American Chemical Society - 237th National Meeting and Exposition, ACS 2009, Abstracts of Scientific Papers
T2 - 237th National Meeting and Exposition of the American Chemical Society, ACS 2009
Y2 - 22 March 2009 through 26 March 2009
ER -