The instability and volatility of iodine is high, however, effective iodine biocidal species can be readily stored in iodinated azoles and then be released upon decomposition or detonation. Iodine azoles with high iodine content and high thermal stability are highly desired. In this work, the strategy of methylene bridging with asymmetric structures of 3,4,5-triiodo-1-H-pyrazole (TIP), 2,4,5-triiodo-1H-imidazol (TIM), and tetraiodo-1H-pyrrole (TIPL) are proposed. Two highly stable fully iodinated methylene-bridged azole compounds 3,4,5-triiodo-1-((2,4,5-triiodo-1H-imidazol-1-yl)methyl)-1H-pyrazole (3) and 3,4,5-triiodo-1-((tetraiodo-1H-pyrrol-1-yl)methyl)-1H-pyrazole (4) were obtained with high iodine content and excellent thermal stability (iodine content: 84.27% for compound 3 and 86.48% for compound 4; T_d: 3: 285 °C, 4: 260 °C). Furthermore, their composites with high-energy oxidant ammonium perchlorate (AP) were designed. The combustion behavior and thermal decomposition properties of the formulations were tested and evaluated. This work may open a new avenue to develop advanced energetic biocidal materials with well-balanced energetic and biocidal properties and versatile functionality.

To overcome the low strength of conventional polytetrafluoroethylene/aluminum (PTFE/Al) reactive materials and the insufficient reaction efficiency of aluminum, this study introduces highly reactive aluminum–cerium alloys (Al-Ce-1#, -2#, and -3#, with Ce contents of 30, 50, and 70%, respectively; the primary phase in Al-Ce-3# is Al₂Ce) with a multiscale structural design (comprising both micron-sized and nano-sized particles) into an ammonium perchlorate (AP) matrix. Al/AP reactive materials and Al-Ce/AP reactive materials with varying Ce contents were prepared. The thermal decomposition characteristics, dynamic mechanical properties, and impact ignition behavior were systematically investigated using differential scanning calorimetry (DSC) and split Hopkinson pressure bar (SHPB) experiments. The results demonstrate that the addition of Al₂Ce significantly alters the thermal decomposition process of AP, substantially lowering its decomposition temperature (by approximately 69 °C) and promoting concentrated exothermic decomposition. SHPB tests reveal that Al₂Ce/AP composites exhibit higher dynamic yield strength and flow stress than the Al/AP, accumulating faster strain energy density under impact loading, which indicates a more violent fragmentation failure mode. This enhanced mechanical failure behavior, which provides highly reactive interfaces and promotes hotspot formation, synergizes with the catalytic effect of Al₂Ce on AP decomposition. Together, these mechanisms jointly improve the impact ignition sensitivity of the material, significantly lowering its ignition threshold and shortening its combustion duration. This study confirms that Al₂Ce/AP is a novel reactive material combining excellent dynamic mechanical properties with outstanding impact reactivity, providing theoretical and technical support for the application of highly reactive rare-earth aluminum alloys in aluminum-based reactive materials.