644 citations · 4.6k across the 39 of their papers we have counts for
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cond-mat.mtrl-sci2001★ 200 cited
Tunable adsorption on carbon nanotubes
O. Gulseren, T. Yildirim, S. Ciraci
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 bind…
cond-mat.mtrl-sci2001★ 113 cited
Exo-hydrogenated Single Wall Carbon Nanotubes
T. Yildirim, O. Gülseren, S. Ciraci
An extensive first-principles study of fully exo-hydrogenated zigzag (n,0) and armchair (n,n) single wall carbon nanotubes (CH), polyhedral molecules including cubane, dode…
cond-mat.mtrl-sci2001★ 437 cited
Giant anharmonicity and non-linear electron-phonon coupling in MgB; A combined first-principles calculations and neutron scattering study
T. Yildirim, O. Gulseren, J. W. Lynn +12
We report first-principles calculations of the electronic band structure and lattice dynamics for the new superconductor MgB. The excellent agreement between theory and our i…