Now showing items 21-27 of 27

    • Systematic study of adsorption of single atoms on a carbon nanotube 

      Durgun, Engin; Dag, S.; Bagci, V. M. K.; Gülseren, O.; Yildirim, T.; Çıracı, Salim (American Physical Society, 2003)
      We studied the adsorption of single atoms on a semiconducting and metallic single-wall carbon nanotube from first principles for a large number of foreign atoms. The stable adsorption sites, binding energy, and the resulting ...
    • Tale within the Tale, Tale within the Fantastic 

      Yildirim, T. (2005)
      In this study, the figure of shahmaran (a half-snake, half-human hybrid) and the adventures of related characters in Zülfü Livaneli's film entitled Şahmaran: Bir İstanbul Masali (Shahmaran: An İstanbul Tale) (1993) are ...
    • 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 ...
    • Transition-metal-ethylene complexes as high-capacity hydrogen-storage media 

      Durgun, Engin; Çıracı, Salim; Zhou, W.; Yildirim, T. (American Physical Society, 2006)
      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, ...
    • Tunable adsorption on carbon nanotubes 

      Gülseren, O.; Yildirim, T.; Çıracı, Salim (American Physical Society, 2001)
      We investigated the adsorption of a single atom, hydrogen and aluminum, on single-wall carbon nanotubes from first principles. The adsorption is exothermic, and the associated binding energy varies inversely as the radius ...
    • Variable and reversible quantum structures on a single carbon nanotube 

      Kılıç, Ç.; Çıracı, Salim; Gülseren, O.; Yildirim, T. (2000)
      The band gap of a semiconducting single wall carbon nanotube decreases and eventually vanishes leading to metalization as a result of increasing radial deformation. This sets in a band offset between the undeformed and ...
    • Vibrations of the cubane molecule: inelastic neutron scattering study and theory 

      Yildirim, T.; Kiliç, Ç.; Çıracı, Salim; Gehring, P. M.; Neumann, D. A.; Eaton, P. E.; Emrick, T. (Elsevier, 1999-08-13)
      Cubane (C8H8) is an immensely strained molecule whose C-C-C bond angle is 90 degrees rather than 109.5 degrees as expected for sp(3) bonding of carbon. We have measured the intramolecular vibrational spectrum of cubane ...