A facile synthesis of multi metal-doped rectangular ZnO nanocrystals using a nanocrystalline metal–organic framework template

Abstract

A multi metal (M: Fe, Co, and Ni)-doped rectangular ZnO nanocrystal (r-ZnO:M) was synthesised using nanocrystalline metal–organic framework-5 (n-MOF-5). After calcination in air, M-inserted n-MOF-5 led to r-ZnO:M of the wurtzite crystal structure with a small amount (<1%) of spinel ZnM₂O₄ phase. The inserted metal atoms of r-ZnO:M, replacing the Zn atoms of the wurtzite ZnO structure, were well-dispersed throughout the nanocrystal. Density functional theory calculations not only confirm the structural stability of wurtzite r-ZnO:M and negligible contribution of spinel ZnM₂O₄ but also elucidate the experimentally observed increase of visible light absorbance and appearance of ferromagnetism upon metal atom doping.