High Energetic Polymeric Nitrogen Stabilized in the Confinement of Boron Nitride Nanotube at Ambient Conditions

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• 作者：Shijie Liu ; Mingguang Yao ; Fengxian Ma ; Bo Liu ; Zhen Yao ; Ran Liu ; Tian Cui ; Bingbing Liu
• 刊名：Journal of Physical Chemistry C
• 出版年：2016
• 出版时间：August 4, 2016
• 年：2016
• 卷：120
• 期：30
• 页码：16412-16417
• 全文大小：424K
• 年卷期：0
• ISSN：1932-7455

文摘

Polymeric nitrogen, as a potential high-energy-density material (HEDM), has promising applications for energy storage, propellants, and explosives.The search for an effective method to recover polymeric nitrogen to ambient conditions is of great interest. Here, we study the confinement of polymeric nitrogen chain in boron nitride nanotube (BNNT) with different diameters, and find the polymeric nitrogen chain can be stable in BNNT (5, 5) at ambient conditions, while it can be also stabilized in other diameters of BNNTs with the application of little pressure. The polymeric nitrogen chains encapsulated in the BNNT dissociate into N₂ molecules and release tremendous energy at above 1400 K. The hybrid structure is favored by a charge transfer from BNNT to N chain. The hybrid material has a smaller charge transfer between the N chains and the hosting BNNT compared with other hosting materials. More importantly, this smaller charge transfer not only stabilizes the polymeric nitrogen chain at ambient conditions but also favors the energy release at a more gentle condition, which can be taken as an obvious advantage of BNNT when used as hosting material. Our findings offer a highly promising route for harvesting nitrogen-based HEDMs under ambient or near ambient conditions.