Adsorption of transition-metal atoms on boron nitride nanotube: A density-functional study
نویسندگان
چکیده
منابع مشابه
Adsorption of transition-metal atoms on boron nitride nanotube: a density-functional study.
Adsorption of transition atoms on a (8,0) zigzag single-walled boron nitride (BN) nanotube has been investigated using density-functional theory methods. Main focuses have been placed on configurations corresponding to the located minima of the adsorbates, the corresponding binding energies, and the modified electronic properties of the BN nanotubes due to the adsorbates. We have systemically s...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2006
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.2218841