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.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.