Investigation on Adsorption and Decomposition Properties of CL-20/FOX-7 Molecules on MgH<sub>2</sub>(110) Surface by First-Principles

Investigation on Adsorption and Decomposition Properties of CL-20/FOX-7 Molecules on MgH<sub>2</sub>(110) Surface by First-Principles

Metal hydrides are regarded as promising hydrogen-supplying fuel for energetic materials while CL-20 (Hexanitrohexaazaisowurtzitane) and FOX-7 (1,1-Diamino-2,2-dinitroethylene) are typical principal components commonly used in energetic materials. Hence, it is interesting to explore the interactions...

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Bibliographic Details
Main Authors: Zhang Yang, Zhao Fengqi, Xu Siyu, Yang Fusheng, Yao Ergang, Ren Xiaobing, Wu Zhen, Zhang Zaoxiao
Format: Article
Language:English
Published: MDPI AG 2020-06-01
Series:Molecules
Subjects:
CL-20
FOX-7
MgH<sub>2</sub>
First-Principles
energetic molecule
Online Access:https://www.mdpi.com/1420-3049/25/12/2726

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https://www.mdpi.com/1420-3049/25/12/2726

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