Boron nitride (BN) nanocage clusters of B 12 N 12 were synthesized, and detected by laser desorption time-of-flight mass spectrometry. The B 12 N 12 clusters consisted of 4-and 6-membered BN rings satisfying the isolated tetragonal rule, which was optimized by molecular orbital calculations. The electronic structure showed a bandgap energy of 5.1 eV, which is a little smaller than that of B 36 N 36 cluster. q
Boron nitride (BN) nanocage clusters (B n N n : n = 12~60), endohedral BN clusters Y@B n N n , BN nanotubes and BN nanohorns were synthesized by an arc-melting method, and characterized by mass spectrometry and high-resolution electron microscopy. The BN clusters consisted of 4-, 6-, 8and 10-membered BN rings satisfying the isolated tetragonal rule, which was optimized by molecular orbital calculations. Total energy calculation showed that some elements stabilize and expand the B 36 N 36 structure. Bandgap energies of the B 36 N 36 clusters were found to be reduced by introducing a metal atom inside the cluster, which indicates controllability of the energy gap. Chiralities of BN nanotubes with zigzag-and armchair-type structures were directly determined from high-resolution images, and structure models are proposed. Total energies of BN nanotubes with a zigzag-type structure were lower than those of armchair-type structure, and these results agreed well with the experimental data of disordered tube structure. BN nanotubes encapsulating BN clusters and a yttrium nanowire were also found. In addition, BN nanohorns with tetragonal BN rings were synthesized and proposed, and multi-walled BN nanohorns would be stabilized by stacking of BN nanohorns. Possibility of hydrogen gas storage in BN clusters was also investigated by molecular orbital calculations, which indicated possibility of hydrogen storage of ~5 wt. %. The present work indicates that the new BN nanocage fullerene materials with various atomic structures and properties can be produced, and a guideline for designing the BN fullerene materials is summarized.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.