“One Stone, Three Birds”: Unveiling the spatial interface configurations on energetic HMX for enhanced safety performances

1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) has been focused due to the high-energy–density characterization. However, the low safety performances like undesired phase transition, fast decomposed kinetic and high mechanical sensitivity need to be improved. Herein, three challenges of HMX have been simultaneously resolved using the interfacial manipulations of both polydopamine (PDA) and graphene oxide (GO). Theoretical calculations revealed the spatial interface configurations would greatly influence performance. Construction of inside PDA and outside GO (denoted as HMX/PDA/GO) makes the charge density redistribution at interfaces, displaying increased stability than inside GO and outside PDA (HMX/GO/PDA). Molecular simulation further unlocked that the diminished hot-spot and stabilized gas release may lead to much more enhanced thermal decomposition stability. Guided by calculations, as-prepared HMX/PDA/GO achieved a preclusive polymorphic transition at 216.6 °C exhibiting a visible increment of 21.3 °C with diminished endothermal and hysteretic decomposition kinetics. Robust mechanical safety performances of HMX/PDA/GO with an impact and friction sensitivity of 40 J and 288 N have been realized. The current work opens an uncharted territory of the high-efficiency interface-regulated energetic materials with a simultaneously enhanced multiple safety performances.