Entropy-mediated solidification stabilizes and enhances energetic release in amorphous energetic materials

Area of Science:

• Materials Science
• Chemical Engineering
• Crystallography

Background:

• Stable amorphous phases in rigid organic small molecules are difficult to achieve due to high crystallization tendencies.
• Stabilizing amorphous energetic materials without inert additives is crucial for maintaining high energy density and safety.

Purpose of the Study:

• To overcome the challenge of forming stable amorphous energetic materials from rigid organic small molecules.
• To develop a method for stabilizing amorphous energetic materials without compromising energy density.

Main Methods:

• Melt quenching process to prepare amorphous DATNBI (AEM-DATNBI).
• Characterization of the glass transition temperature and structural stability of AEM-DATNBI.
• Analysis of the molecular interactions contributing to amorphous phase stability.

Main Results:

• Successfully realized a stable amorphous energetic material, AEM-DATNBI, from the small molecule explosive DATNBI.
• AEM-DATNBI exhibits a glass transition temperature of 59.67°C and remains stable for over 24 hours at 60°C.
• Stability is attributed to synergistic interactions between the non-planar molecular framework and a 3D hydrogen-bond network.

Conclusions:

• The developed amorphous structure enhances safety by suppressing hotspot formation and accelerates energy release.
• This study presents a general strategy using steric hindrance and intermolecular interactions to create amorphous energetic materials.
• The findings extend the applicability of amorphous materials to energetic compounds and other functional rigid organic small molecules.