Doped Nanoparticles: Evidence for Fe²⁺ in Wurtzite Coordination: Iron Doping Stabilizes ZnO Nanoparticles (Small 20/2011)

Zinc oxide nanoparticles can be stabilized by substitutional addition of iron, where up to 10% Fe2+ replace Zn2+ ions. The picture shows the transmission electron microscope image of a Fe-doped ZnO nanoparticle, decorated with the representation of the atomic positions of a computer simulation (Fe: yellow, Zn: blue, O: red). The samples have been characterized by TEM, PXRD, and ISEELS, and detailed density functional calculations confirm experimental observations: Fe ions stabilize the structure, the structural characteristics of the Fe-doped ZnO nanoparticles remain essentially unchanged, and comparison of experimental and simulated core-shell spectroscopy data exclude significant amounts of Fe3+ in the samples.