Formation and structure of B24N24 clusters

被引：173

作者：

Oku, T

Nishiwaki, A

Narita, I

Gonda, M

机构：

[1] Osaka Univ, Inst Sci & Ind Res, Osaka 5670047, Japan

[2] Shimadzu Co Ltd, Life Sci Lab, Kyoto 6048511, Japan

来源：

CHEMICAL PHYSICS LETTERS | 2003年 / 380卷 / 5-6期

关键词：

D O I：

10.1016/j.cplett.2003.08.096

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Boron nitride (BN) nanocage clusters of B24N24 were synthesized and detected by laser desorption time-of-flight mass spectrometry. The B24N24 clusters consisted of 4-, 6- and 8-membered BN rings satisfying the isolated tetragonal rule, which was optimized by molecular orbital calculations. The electronic structure showed a bandgap energy of 4.9 eV, which is smaller than that of B36N36 cluster. (C) 2003 Elsevier B.V. All rights reserved.

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页码：620 / 623

页数：4

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