Browsing by Author "Bagci, V. M. K."

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    Metal nanoring and tube formation on carbon nanotubes
    (American Physical Society, 2002) Bagci, V. M. K.; Gülseren, O.; Yildirim, T.; Gedik, Z.; Ciracil, S.
    The structural and electronic properties of aluminum-covered single-wall carbon nanotubes (SWNT's) are studied from first principles for a large number of coverages. Aluminum-aluminum interaction, that is stronger than aluminum-tube interaction, prevents uniform metal coverage, and hence gives rise to the clustering. However, a stable aluminum ring and aluminum nanotube with well defined patterns can also form around the semiconducting SWNT's and lead to metallization. The persistent current in the Al nanoring is discussed to show that a high magnetic field can be induced at the center of SWNT.
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    Systematic study of adsorption of single atoms on a carbon nanotube
    (American Physical Society, 2003) Durgun, Engin; Dag, S.; Bagci, V. M. K.; Gülseren, O.; Yildirim, T.; Çıracı, Salim
    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 electronic properties are analyzed. The character of the bonding and associated physical properties exhibit dramatic variations depending on the type of the adsorbed atom. While the atoms of good conducting metals, such as Cu and Au, form very weak bonding, atoms such as Ti, Sc, Nb, and Ta are adsorbed with relatively high binding energy. Most of the adsorbed transition-metal atoms excluding Ni, Pd, and Pt have a magnetic ground state with a significant magnetic moment. Our results suggest that carbon nanotubes can be functionalized in different ways by their coverage with different atoms, showing interesting applications such as one-dimensional nanomagnets or nanoconductors and conducting connects, etc.