The effect of oxygen defects in Cu2O1−x nanocatalyst on the catalytic thermal decomposition of ammonium perchlorate

The oxygen vacancy defect engineering has been demonstrated as a promising method to modify the physical and chemical properties of semiconductor materials, but it is rarely used in combustion catalyst. Herein, the effect of oxygen defects in a novel Cu 2 O 1−x nanocombustion catalyst on the thermal decomposition properties and kinetics of AP was studied by differential scanning calorimetry (DSC) and thermogravimetry (TG) analysis for the first time. Density functional theory (DFT) calculations were employed to elucidate the oxygen defect effects and catalytic mechanism by investigating the changes in adsorption energies of NH 3 and its split products on the catalyst surfaces induced by oxygen vacancy defects. The results show that the Cu 2 O 1−x with abundant oxygen vacancy defects exhibited enhanced catalytic activity for the AP thermal decomposition. Also, the kinetic parameters of AP thermal decomposition with and without cuprous oxide nanocatalysts were obtained by Kissinger’s method. With the addition of Cu 2 O 1−x , the exothermic peak temperature and apparent activation energy of AP in high-temperature decomposition stage were respectively reduced by 104.6 °C and 71.6 kJ mol −1 , which are higher than those of Cu 2 O (90.1 °C and 54.6 kJ mol −1 ), showing significant oxygen defect effects. DFT calculations found that the oxygen vacancy defects on the Cu 2 O 1−x nanocatalyst surface can promote the adsorption and complete oxidation of NH 3 , which may adsorb on the surface of AP and restrain its thermal decomposition during low-temperature decomposition process. Graphical abstract Oxygen-deficient Cu 2 O 1−x nanoparticles have been prepared and firstly used as combustion catalyst. The effect of oxygen defects in a novel Cu 2 O 1−x nanocombustion catalyst on the thermal decomposition properties and kinetics of AP was investigated by DSC and TG analysis techniques for the first time.