The potential practical applications of high-energy 1,3,5,7-tetranittro-1,3,5,7-tetrazocane (HMX) are hindered by their unfavorable safety behavior and sluggish thermal decomposition. This paper proposes dye-assisted assembly of HMX crystals with crystal violet (CV) as soft templates (denoted as CV-HMX). As revealed by the XPS and molecular-dynamics simulations, preferred electrical interactions between HMX and conjugation electrons in planar CV molecular ensure that the resultant CV-HMX has a two-dimensional (2D) microstructure. The BAM impact sensitivity of CV-HMX is 12.5 ​J, higher than that of raw-HMX (5 ​J) and HMX recrystallized from pure water (PW-HMX; 4.5 ​J). Meanwhile, the BAM friction sensitivity of CV-HMX is 320 ​N, also much higher than that of PW-HMX (96 ​N) and raw-HMX (88 ​N). In addition, the decomposition kinetics of CV-HMX is improved due to its large specific surface area and high pore volume. Such dye-template assembly can be applied to a large number of systems, indicating that the method proposed in this work is universal. This work provides synergistic template regulation on morphology and pore structure using general dye-assisted assembly, holding great promises in developing practically viable high energy materials with favorable sensitivity and improved energy release performance.

高能 1,3,5,7-tetranittro-1,3,5,7-tetrazocane (HMX) 的潜在实际应用因其不利的安全行为和缓慢的热分解而受到阻碍。本文提出了以结晶紫 (CV) 作为软模板 (表示为 CV-HMX) 的 HMX 晶体的染料辅助组装。正如 XPS 和分子动力学模拟所揭示的那样，HMX 与平面 CV 分子中的共轭电子之间的优选电相互作用确保所得 CV-HMX 具有二维 (2D) 微观结构。CV-HMX 的 BAM 冲击灵敏度为 12.5 J，高于原始 HMX (5 J) 和从纯水中重结晶的 HMX (PW-HMX; 4.5 J)。同时，CV-HMX的BAM摩擦灵敏度为320 N，也远高于PW-HMX（96 N）和raw-HMX（88 N）。此外，由于 CV-HMX 的大比表面积和高孔体积，其分解动力学得到改善。这种染料模板组装可以应用于大量系统，表明这项工作中提出的方法是通用的。这项工作使用通用染料辅助组装提供了对形态和孔结构的协同模板调节，在开发具有良好灵敏度和改善的能量释放性能的实用高能材料方面具有广阔的前景。