Preparation, characterization and photocatalytic performance of Nd³⁺-doped titania nanoparticles with mesostructure

Nd³⁺-doped titania nanoparticles with mesostructures were synthesized via hydrothermal process by using cetyltrimethylammonium bromide (CTAB) as directing and pore-forming agent. The obtained materials were characterized by XRD, nitrogen adsorption-desorption, TEM and DRS. The existence of neodymium ion affect significantly the phase transition of the amorphous to anatase, and the band-gap energy was reduced because of the defect energy level induced by the 4f atomic orbital of Nd³⁺ with the optimal content of 1.5 at.% Nd. Density functional theory calculations can explain the band-gap narrowing. The maximum photocatalytic activity corresponds to the 0.5 at.% Nd³⁺-doped anatase nanopowders with mesostructures, which is higher than that of undoped samples.