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3D-Cube Layer Stacking: A Promising Strategy for High-Performance Insensitive Energetic Materials

It is desirable to consider the molecular design and crystal configuration in the research of energetic materials. We discovered an interesting layer stacking crystal configuration, which is different from previous 2D-plane layer stacking, and termed it as “3D-cube layer stacking”. This new configuration, resulting from the unusual U-shaped molecular structures and vast H-bonding interactions, breaks through the limitations of the planar molecular structures in 2D-plane layer stacking. Compound 4, which features such characteristics, exhibits excellent energetic performance (D: 9043 m s–1; P: 35.6 GPa) and acceptable sensitivities (IS: 16 J; FS: 180 N). These positive results indicate that 3D-cube layer stacking may open new avenues for the design of energetic materials.