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

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Abstract

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 Cu2O1−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 NH3 and its split products on the catalyst surfaces induced by oxygen vacancy defects. The results show that the Cu2O1−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 Cu2O1−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 Cu2O (90.1 °C and 54.6 kJ mol−1), showing significant oxygen defect effects. DFT calculations found that the oxygen vacancy defects on the Cu2O1−x nanocatalyst surface can promote the adsorption and complete oxidation of NH3, which may adsorb on the surface of AP and restrain its thermal decomposition during low-temperature decomposition process.

Graphical abstract

Oxygen-deficient Cu2O1−x nanoparticles have been prepared and firstly used as combustion catalyst. The effect of oxygen defects in a novel Cu2O1−x nanocombustion catalyst on the thermal decomposition properties and kinetics of AP was investigated by DSC and TG analysis techniques for the first time.

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Acknowledgements

The financial support by the National Natural Science Foundation of China (Grant Number: 21173163 and 21503163) is gratefully acknowledged.

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Authors and Affiliations

  1. National Key Laboratory of Energetic Materials, Xi’an Modern Chemistry Research Institute, 168 Zhangba Road, Xi’an, 710065, Shanxi, People’s Republic of China

    Yifan Jiang, Fengqi Zhao, Ming Zhang, Hexin Liu, Hui Li, Zhao Qin & Jiankan Zhang

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  1. Yifan Jiang
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  3. Ming Zhang
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Contributions

All authors contributed to this work. YJ did most of the experiments and wrote the main part of the manuscript. FZ provided guidance for experiments and manuscript writing. MZ and HL assisted in the catalytic performance evaluation and kinetic analysis of the oxygen-deficient Cu2O1−x nanocombustion catalyst toward the AP thermal decomposition. HL and ZQ participated in the synthesis and characterization of oxygen-deficient Cu2O1−x nanocatalyst. JZ contributed to the study and reviewed the manuscript.

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Correspondence to Fengqi Zhao.

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Jiang, Y., Zhao, F., Zhang, M. et al. The effect of oxygen defects in Cu2O1−x nanocatalyst on the catalytic thermal decomposition of ammonium perchlorate. J Therm Anal Calorim 148, 9979–9992 (2023). https://doi.org/10.1007/s10973-023-12369-w

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