“…For energetic materials, halogen is significant in the structural establishment of energetic biocidal agents (iodine based polynitro compounds), solid rocket propellants (ammonium perchlorate, etc) [23] as well as thermally stable energetic materials [1,3,5‐trichloro‐2,4,6‐trinitrobenzene (TCTNB), 1,3,5‐triiodo‐2,4,6‐trinitrobenzene (TITNB), 1,3,5‐tribromo‐2,4,6‐trinitrobenzene (TBTNB), etc] [1], and so on. In recent years, chlorine has been also found in building a series of molecular‐perovskite energetic materials [24–26] and host‐guest explosives with the incorporation of perchlorate ions [27–31]. Therefore, exploring and understanding the relationship between halogen inclusion and physical performance of energetic materials is necessary for the design and development of novel materials towards future advanced applications.…”