Formation and atomic structures of BnNn (n=24–60) clusters studied by mass spectrometry, high-resolution electron microscopy and molecular orbital calculations
2004; Elsevier BV; Volume: 351; Issue: 1-2 Linguagem: Inglês
10.1016/j.physb.2004.06.007
ISSN1873-2135
AutoresTakeo Oku, Atsushi Nishiwaki, Ichihito Narita,
Tópico(s)Graphene research and applications
ResumoBoron nitride (BN) nanocage clusters (BnNn: n=24–60) were synthesized by arc-melting method and detected by mass spectrometry and high-resolution electron microscopy. Endohedral boron nitride clusters Y@BnNn would also be formed. The BN clusters consist of 4-, 6- and 8-membered BN rings satisfying the isolated tetragonal rule, which was optimized by molecular orbital calculations. The electronic structure showed that bandgap energies increase with increase of cluster size.
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