Mehdi Noura
University of Sistan and Baluchestan, Zahedan, Iran.
[ 1 ] - Hydrogen Adsorption on (5,0) and (3,3) Na-decorated BNNTs
The storage capacity of hydrogen on Na-decorated born nitride nanotubes (BNNTs) is investigated by using density functional theory within Quantum Espresso and Gaussian 09. The results obtained predict that a single Na atom tends to occupy above the central region of the hexagonal rings in (5,0) and (3,3) BNNT structures with a binding energy of -2.67 and -4.28 eV/Na-atom respectively. When a si...
نویسندگان همکار