Now showing items 1-2 of 2

    • High-capacity hydrogen storage by metallized graphene 

      Ataca, C.; Aktürk, E.; Çıracı, Salim; Ustunel H. (AIP Publishing, 2008)
      First-principles plane wave calculations predict that Li can be adsorbed on graphene forming a uniform and stable coverage on both sides. A significant part of the electronic charge of the Li 2s orbital is donated to ...
    • Titanium-decorated carbon nanotubes as a potential high-capacity hydrogen storage medium 

      Yildirim, T.; Çıracı, Salim (American Physical Society, 2005)
      We report a first-principles study, which demonstrates that a single Ti atom coated on a single-walled nanotube (SWNT) binds up to four hydrogen molecules. The first H2 adsorption is dissociative with no energy barrier ...