Surface-Induced Thermal Decomposition of Energetic Cocrystal CL-20/MTNP Based on In Situ Morphology and Crystal Structure Characterizations

• DOI: 10.1021/acs.cgd.3c00392
• Publication Date: 2023-07-25T17:50:29Z
• Authors: Yiyi Xiao; Hui Huang; Xueyan Zhao; Pangangjing Zou; Liyuan Wei; Yu Liu; Bo Jin; Rufang Peng; Shiliang Huang
• Keywords: Cocrystal; Thermal Stability; Isothermal process; Crystal (programming language)

Surface structures and properties are particularly important for various materials, as they can transport to the bulk in special cases affect applications of materials. Thermal stability is one key factors that determine engineering energetic cocrystals (ECCs). Here, situ morphology crystal structure characterization techniques were applied investigate thermal decomposition hexanitrohexoazaisowurtzitane/1-methyl-3,4,5-trinitro-1H-pyrazole (CL-20/MTNP), an CL-20-based cocrystal, under isothermal conditions. An unexpectedly low was observed CL-20/MTNP cocrystal. The temperature be 140 °C with evolution surface defects starting from 100 °C. After decomposition, cocrystal transformed γ-CL-20 a porous morphology. Based on facet indexing result, model also constructed In combination channel-like structure, surface-induced mechanism proposed, which provides new perspective ECCs, will valuable estimation thermal/chemical other