Role of single walled carbon nanotube in nanophase MgH2 hydrogen storage system

K. Iyakutti, R. Lavanya, V. J. Surya, V. Vasu, Y. Kawazoe, H. M. Izuseki

Research output: Contribution to journalArticlepeer-review


While the hydrogen storage property of bulk MgH2 is remarkable, the nanophase MgH2 is not completely understood. Wu et al. experimentally investigated the hydrogen storage properties of MgH 2/single walled carbon nanotube composite systems and found that, while all the carbon additives acted as effective composite phase, Single-walled carbon nanotubes exhibited the most prominent catalytic function to enhance the hydrogen storage properties of MgH2. We wish to confirm this role of single walled carbon nanotube in MgH2/single walled carbon nanotube using first principles calculation. We functionalized single walled carbon nanotube with MgH2 and hydrogenated. It is found that one can get a hydrogen storage capacity of 5.0-6.4 wt % with the hydrogen binding energy around 0.3 eV, in this carbon nanotube-8MgH2 complex. Our study confirms that the carbon nanotubes neither act as catalysts nor as a component of the composite phase.

Original languageEnglish
Pages (from-to)S391-S393
JournalAsian Journal of Chemistry
Issue numberSUPPL
Publication statusPublished - 2013 Jun 3


  • Catalytic function
  • Hydrogen storage
  • MgH/Single walled carbon nanotube composite
  • Nanophase

ASJC Scopus subject areas

  • Chemistry(all)

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