Self-Assembly of Energetic Materials Based on 3-Picrylamino-1,2,4-Triazole: Synthesis and Performance Regulation

The self-assembly strategy is an efficient method for tailoring the properties of energetic materials, wherein energetic molecules combine with other molecules through noncovalent interactions to construct self-assembled systems with enhanced overall performance. To diversify the host explosives available for constructing self-assembled energetic materials. In this work, the insensitive and heat-resistant explosive 3-picrylamino-1,2,4-triazole (PATO) was combined with perchloric acid (HClO 4 ) and hydrochloric acid (HCl) to prepare the PATO-HClO 4 and PATO-HCl self-assembled energetic materials. Importantly, incorporation of the energetic oxidizer HClO 4 results in a high density of 1.927 g·cm –3 and improves the oxygen balance by 49.1%, leading to superior detonation performance ( D v = 8.17 km·s –1, P = 30.85 GPa). Additionally, the material demonstrates a favorable safety profile, with an impact sensitivity of H 50 = 53 cm (2 kg) and 0% friction explosion under GJB conditions (66°, 2.5 MPa). These findings demonstrate that acid-induced self-assembly strategy is a viable approach for tuning the properties of azole-based energetic compounds.