Formation and atomic structure of B<sub>12</sub>N<sub>12</sub>nanocage clusters studied by mass spectrometry and cluster calculation
Takeo OkuInstitute of Scientific and Industrial Research, Osaka University , Mihogaoka 8—1, Ibaraki, Osaka, 567—0047, JapanAtsushi NishiwakiInstitute of Scientific and Industrial Research, Osaka University , Mihogaoka 8—1, Ibaraki, Osaka, 567—0047, JapanIchihito NaritaInstitute of Scientific and Industrial Research, Osaka University , Mihogaoka 8—1, Ibaraki, Osaka, 567—0047, Japan
2004en
ABI
Аннотация
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.
Перевод пока недоступен
Идентификаторы
Цитирования и источники
Цитирований: 2Использованных источников: 0