Construction of Ti3C2Tx MXene enhanced three dimensionally macropore CuO/ZnO heterojunction composite catalytic material: Boosting the efficient thermal decomposition and combustion process of the new energetic materials TKX-50

Multifunctional composite catalysts show significant potential for enhancing the thermal decomposition and combustion of energetic materials. However, their synergistic mechanisms remain unclear. In this work, we prepared a 3D macroporous (3DM) CuO/ZnO catalyst via PMMA template calcination and combined it with Ti 3 C 2 T x MXene through electrostatic assembly, to form a 3DM CuO/ZnO-Ti 3 C 2 T x heterogeneous catalyst with uniform morphology and high conductivity. Results show that 3DM CuO/ZnO-Ti 3 C 2 T x has a good catalytic effect on TKX-50, which can advance the decomposition peak from 246 to 208 ℃, increase the heat release from 730 to 1106 J/g and boost combustion time from 560 to 790 ms, improve the flame temperature from 773 to 1109 ℃. By combining LAMMPS, materials studio software and TG-MS-IR analysis, the catalytic mechanism of 3DM material on the thermal decomposition of TKX-50 was deeply explored. 3DM materials can adsorb hydroxylamine molecule, accelerate the H + transfer process, achieve rapid exchange of H and OH, and realize the rapid and concentrated release of gas, thereby promoting the decomposition process of TKX-50. Consequently, the construction of composite catalysts with synergy can start from the perspective of forming more heterostructures, which provides better theoretical support for future research on composite catalysts.