Formation and atomic structure of B12N12 nanocage clusters studied by mass spectrometry and cluster calculation

By T. Oku, A. Nishiwaki, I. Narita. 2004

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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.

Subfields: Materials Chemistry, Organic Chemistry

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