Abstract
Molar binding energy of BN achiral nanotubes is calculated within the quasi-classical approach. The binding energy peak located at 2.691 Å corresponds to the equilibrium structural parameter of all realized stable BN-nanotubular structures. In the range of ultra-small-radii, it exhibits an oscillatory dependence on tube radius. According to molar binding energies, nanotubes (3,0), (2,2), (4,0) and (1,1) are predicted to be most stable species. The obtained binding energy of BN-nanotubes lies within the interval 12.01–29.39 eV/mole, while the spread of the zero-point vibration energy correction is 0.25–0.33 eV/mole.
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