Hydrogen storage in carbon nanostructures

Gotthard Seifert, Aliezer M. Mesa, Sergei Yurchenko, Lyuben Zhechkov, Thomas Heine, Sergei Patchkovski

Research output: Chapter in Book/Report/Conference proceedingConference contribution


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.

Original languageEnglish
Title of host publicationAmerican Chemical Society - 237th National Meeting and Exposition, ACS 2009, Abstracts of Scientific Papers
Publication statusPublished - 2009
Event237th National Meeting and Exposition of the American Chemical Society, ACS 2009 - Salt Lake City, UT, United States
Duration: 2009 Mar 222009 Mar 26

Publication series

NameACS National Meeting Book of Abstracts
ISSN (Print)0065-7727


Other237th National Meeting and Exposition of the American Chemical Society, ACS 2009
Country/TerritoryUnited States
CitySalt Lake City, UT

All Science Journal Classification (ASJC) codes

  • General Chemistry
  • General Chemical Engineering


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