Formation and atomic structure of B12N12 nanocage clusters studied by mass spectrometry and cluster calculation |
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| Authors: | Takeo Oku Atsushi Nishiwaki Ichihito Narita |
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| Affiliation: | 1. oku@sanken.osaka-u.ac.jp;3. Institute of Scientific and Industrial Research, Osaka University, Mihogaoka 8-1, Ibaraki, Osaka 567-0047, Japan |
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| Abstract: | Boron nitride (BN) nanocage clusters of B12N12 were synthesized, and detected by laser desorption time-of-flight mass spectrometry. The B12N12 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 B36N36 cluster. |
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| Keywords: | Boron nitride Cluster Cage Mass spectrometry Fullerene |
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