Boron Nitride Analogs of Fullerenes (the Fulborenes), Nanotubes, and Fullerites (the Fulborenites)

Formation and atomic structure of B12N12nanocage clusters studied by mass spectrometry and cluster calculation

“…BN metallofullerenes, which showed the possible existence of metal atoms inside the B 36 N 36 clusters, were also reported from HREM [4,21,24]. For these BN clusters, a B 12 N 12 cluster was theoretically predicted to be the smallest cage cluster satisfying the isolated tetragonal rule [8][9][10][11][12]16], and BN cluster solids were also predicted [15,17]. Although the B 12 N 12 clusters was reported by HREM [19,20], mass spectrum analysis has been mandatory for determining the existence of B 12 N 12 nanocage clusters, and few such reports have been presented [25].…”

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

“…In particular, assuming that CFF can be correctly determined by a sum of only two-body interaction terms, the B−N potential energy had been expressed analytically via Morse potential, which gave 1.32521 d  Å and 5.0007 E  eV. However, it was noted [25] that standard forms of the pair interatomic potentials, such as the Morse, Mee-Grüneisen, Buckingham, and other potentials, converge slowly and, therefore, a cutoff procedure should be used. But, in such a case a non-physical jump on the potential radial function can arise.…”

“…Stabilities of the boron nitride nanotubular structures were studied by means of non-orthogonal tight-binding formalism [92]. The radii and energies of the BN nanotubes also were estimated by MD simulation [25] within the embedded atom model in which parameter d took the experimental value 1.4457 Å of the intralayer B-N bond length in real h-BN crystals. In [69], the binding energy of the regular BN nanotubes has been calculated within the DFT in generalized gradient approximation (GGA).…”

“…Other opportunities of application of the BN nanotubes are connected with the features of their phonon spectrum [25]. Such dielectric tubes without inversion center can be used as a phonon laser in GHz − THz range or hypersound quantum generator.…”

Frequency-Dependent Polarizability of Boron Nitride Nanotubes: A Theoretical Study

“…46,47,[50][51][52][53][54][55][56][57][58][59][60][61][62] The structure of these new boronnitrogen-containing fullerenes and nanotubes have been studied and compared with that of carbon nanotubes. [63][64][65][66][67][68][69][70][71][72][73][74][75][76] In particular, it has been noted that BN-NTs have an almost constant band gap of 5.5 eV with respect to the geometric configuration of the tube whereas the band gap of carbon nanotubes show a strong geometry dependence. 67 The effects of doping C 60 -based C-NTs 77 and the fullerene C 60 78,79 with boron and nitrogen on the second hyperpolarizability, γ, have been reported.…”