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      Transition-metal-ethylene complexes as high-capacity hydrogen-storage media

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      Author
      Durgun, Engin
      Çıracı, Salim
      Zhou, W.
      Yildirim, T.
      Date
      2006
      Source Title
      Physical Review Letters
      Print ISSN
      0031-9007
      Publisher
      American Physical Society
      Volume
      97
      Issue
      22
      Pages
      226102-1 - 226102-4
      Language
      English
      Type
      Article
      Item Usage Stats
      141
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      Abstract
      From first-principles calculations, we predict that a single ethylene molecule can form a stable complex with two transition metals (TM) such as Ti. The resulting TM-ethylene complex then absorbs up to ten hydrogen molecules, reaching to gravimetric storage capacity of ∼14wt%. Dimerization, polymerizations, and incorporation of the TM-ethylene complexes in nanoporous carbon materials are also discussed. Our results are quite remarkable and open a new approach to high-capacity hydrogen-storage materials discovery.
      Keywords
      Carbon
      Dimerization
      Hydrogen
      Molecules
      Nanostructured materials
      Transition metals
      Gravimetric storage capacity
      Hydrogen storage media
      Stable complexes
      Ethylene
      Permalink
      http://hdl.handle.net/11693/23595
      Published Version (Please cite this version)
      http://dx.doi.org/10.1103/PhysRevLett.97.226102
      Collections
      • Department of Physics 2371
      • Institute of Materials Science and Nanotechnology (UNAM) 1890
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