ZnO Micro/Nanocrystals with Tunable Exposed (0001) Facets for Enhanced Catalytic Activity on the Thermal Decomposition of Ammonium Perchlorate

ZnO micro/nanocrystals with different percentages of the exposed (0001) facets were synthesized by a facile chemical bath deposition method. Various characterizations were carried out to understand the relationship between particle shape, exposed (0001) facets, and catalytic activity of ZnO nanocrystals for the thermal decomposition of ammonium perchlorate (AP). An enhancement in the catalytic activity was observed for the ZnO micro/nanocrystals with a higher percentage of the exposed (0001) facets, in which the activation energy <i>E</i>_a of AP decomposition was lowered from 154.0 ± 13.9 kJ/mol to 90.8 ± 11.4 kJ/mol, 83.7 ± 15.1 kJ/mol, and 63.3 ± 3.7 kJ/mol for ZnO micro/nanocrystals with ca. 18.6%, 20.3%, and 39.3% of the exposed (0001) facets. Theoretically evidenced by density functional theory calculations, such highly exposed (0001) facets can be favorable for the adsorption and diffusion of perchloric acid, and also facilitate the formation of active oxygen which can lead to the oxidation reaction of ammonia more completely in the catalytic decomposition of AP