Chemical synthesis of faceted α-Fe2O3 single-crystalline nanoparticles and their photocatalytic activity

Faceted hematite nanocrystals have been synthesized via a hydrothermal route and their different morphologies can be tuned by appropriate stabilizer molecules. Detailed observation by high-resolution transmission electron microscopy and atomic force microscopy has revealed many terraces, steps, and kinks on the faceted surface of hematite nanoparticles, and thus, one growth mechanism of the terrace-step-kink model has been suggested to play a major role in determining the equilibrium morphology, together with effect of surface chemistry via the interaction between outer surfaces of iron and oxygen ions and functional groups. The photocatalytic activities were evaluated by decomposing rhodamine B dye. It has been shown that polyhedron hematite particles enclosed by high-index surface planes exhibited higher photoactivity. Density functional theory calculations revealed that the higher photoactivity originates from the more flat band edge in directions normal to the surface planes.