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Pressure-driven and photocatalytic diversity of ZnO particles prepared by finely tuned pathways

Microstructural features have an important role in optimizing the properties of ZnO nanoparticles (NPs) and are essential factors for flexible applications. The importance of theoretical understanding beyond systematic pathway set-ups, which can lead to the design of morphologically targeted ZnO NPs is of key importance. By integrating synthesis of ZnO particles using different methods, and structural property measurements, aided by theory calculations we singled out the optimal ZnO candidate with morphology-dependent functionalities. This study highlights the physical and chemical peculiarities of shape-selected ZnO particles prepared by different routes, concisely elaborating the mechanical response to external hydrostatic pressure via Synchrotron Powder X-ray diffraction experiments, degradation kinetics over RhB dye pollutant and X-ray Photoelectron Spectroscopy fingerprints, latter giving an insight into the morphological versatility and surface diversity of ZnO polycrystals. We mimicked theoretical breakthroughs at the Density Functional Theory level leading to morphology-driven ZnO NPs, reflecting enhanced catalytic activity and pressure induced internal strain contributions to the mechanical properties of nanocrystalline ZnO particles. The microstrain responses of the ZnO NPs to the applied hydrostatic pressure were studied up to 30 GPa, while the degradation measurements were carried over the RhB dye pollutant molecules. We comparatively showed that the diversity of size and shape of ZnO particles distinguishes the wurtziteto- rocksalt transformation reversibility phenomena by dictating the microstructure-dependent deformation behavior and ultimately leads to different microstrain responses to hydrostatic pressure. The exceptionally high apparent-rate constant of 9.7(2)× 10 min highlights the role of spherical ZnO NPs grown hydrothermally from ethanolic solution towards the giant, spindle-shaped ZnO particles prepared in NaOH medium with calcination treatment. It seems that by understanding the crystal growth of ZnO NPs via the molecular ZnO interface/solvent/additive interactions and screening the solution chemistry of ZnO NPs, one can make ZnO a highly efficient promising multifunctional material. Based on the above results, the prospect of being able to synthesize pure ZnO NPs that efficiently degrade ∼99% of the RhB dye pollutant in 50 min serves as a continuous incentive for future research.

high pressure XRD ; photocatalysis ; zinc oxide ; phase transitions ; microstructure

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