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Morphology Effects in Photoactive ZnO Nanostructures: Photooxidative Activity of Polar Surfaces.


Morphology Effects in Photoactive ZnO Nanostructures: Photooxidative Activity of Polar Surfaces.

A. Iglesias-Juez, F. Viñes, O. Lamiel-Garcia, M. Fernández-García, F. Illas.

J. Mater. Chem. A 3 (2015) 8782.

ZnO nanostructures with variable morphology were prepared by a microemulsion method and their structural, morphological, and electronic properties investigated by experimental and theoretical approaches using microscopy (high resolution transmission electron microscopy) and spectroscopic (X-ray diffraction, Raman, and UV-visible) tools, together with density functional theory calculations. Results provide a detailed insight into the relationship between surface- related physicochemical properties and the photochemical response of ZnO nanostructures, such as that the light-triggered photochemical activity of ZnO nanostructures is related to the predominance of highly-active (polar) surfaces, in particular, the amount of Zn-terminated (0001) surfaces, rather than band gap sizes, carrier mobilities, and other variables usually mentioned in the literature. The computational results highlight the oxidative capability of polar surfaces, independently of the degree of hydration.