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Molar Binding Energy of Zigzag and Armchair Single-Walled Boron Nitride Nanotubes

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DOI: 10.4236/msa.2010.14035    4,547 Downloads   9,594 Views   Citations

ABSTRACT

Molar binding energy of the boron nitride single-walled zigzag and armchair nanotubes is calculated within the qua-si-classical approach. We find that, in the range of ultra small radii, the binding energy of nanotubes exhibit an oscil-latory dependence on tube radius. Nanotubes (1,1), (3,0), and (4,0) are predicted to be more stable species among sin-gle-walled boron nitride nanotubes. The obtained binding energies of BN single-walled nanotubes corrected with zero-point vibration energies lies within the interval (12.01-29.39) eV. In particular, molar binding energy of the ul-tra-large-radius tube is determined as 22.95 eV. The spread of the molar zero-point vibration energy of BN nanotubes itself is (0.25-0.33) eV and its limit for ultra-large-radius tubes is estimated as 0.31 eV. The binding energy peak lo-cated at 2.691 Å corresponds to the equilibrium structural parameter of all realized stable BN nanotubular structures.

Conflicts of Interest

The authors declare no conflicts of interest.

Cite this paper

L. Chkhartishvili and I. Murusidze, "Molar Binding Energy of Zigzag and Armchair Single-Walled Boron Nitride Nanotubes," Materials Sciences and Applications, Vol. 1 No. 4, 2010, pp. 223-246. doi: 10.4236/msa.2010.14035.

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