| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1548943 | Progress in Natural Science: Materials International | 2009 | 5 Pages |
Abstract
HB(N5)3M (M = Li, Na, K, and Rb) have been investigated as potential high-energy density materials in the present paper by means of density functional theory. They all show kinetic stabilities as to the breakup of N5 ring. Their kinetic stabilities decrease in the order of Li, Na, K, and Rb. Compared to HB(N5)3K and HB(N5)3Rb, HB(N5)3Li and HB(N5)3Na have higher transition state barriers and are of significantly higher energy content, and thus they are suggested to be more practical and suitable as potential high-energy density materials.
Related Topics
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Authors
Jian Cui, Yan Zhang, Fengjuan Zhao, Jing Yang, Gangyi Shen, Yu Xu,