Unprecedented energetic zwitterion integrating thermal stability, high energy density and low sensitivity: Overcoming performance trade-offs in conventional energetic materials

The simultaneous integration of high energy density, low sensitivity, and thermal stability in energetic materials has constituted a century-long scientific challenge. Herein, we address this through a dual-zwitterionic electronic delocalization strategy, yielding TYX-3, the first bis-inner salt triazolo-tetrazine framework combining these mutually exclusive properties. Uniform π-electron distribution and elevated bond dissociation energy confer exceptional thermal stability ( T d = 365 °C) with TATB-level insensitivity (impact sensitivity IS > 40 J, friction sensitivity FS > 360 N). Engineered π-stacked networks enable record density (1.99 g·cm −3 ) with detonation performance surpassing HMX benchmarks (detonation velocity 9315 m·s −1 , detonation pressure 36.6 GPa). Practical implementation in Poly (3-nitratomethyl-3-methyloxetane) (PNMMFO) solid propellants demonstrates 5.4-fold safety enhancement over conventional HMX-based formulations while maintaining equivalent specific impulse. This work establishes a new design paradigm for energetic materials, overcoming the historical trade-offs between molecular stability and energy output through rational zwitterionic engineering. This work demonstrates a bis-zwitterionic triazolo-tetrazine framework (TYX-3) achieving unprecedented energy-stability integration: record density (1.99 g·cm −3 ), HMX-level detonation velocity (9315 m·s −1 ), and TATB-like insensitivity (IS > 40 J, FS > 360 N) via synergistic π-delocalization and dual stabilization mechanisms, resolving the century-old energy-density-safety paradox in energetic materials.