4.5 Article Proceedings Paper

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

Journal

SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS
Volume 5, Issue 5-6, Pages 635-638

Publisher

NATL INST MATERIALS SCIENCE
DOI: 10.1016/j.stam.2004.03.017

Keywords

boron nitride; cluster; cage; mass spectrometry; fullerene

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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. (C) 2004 Elsevier Ltd. All rights reserved.

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