Cerium-Doped Zirconium Dioxide, a Visible-Light-Sensitive Photoactive Material of Third Generation

J Phys Chem Lett. 2014 Feb 6;5(3):447-51. doi: 10.1021/jz402731s. Epub 2014 Jan 15.

Abstract

The dispersion of small amounts of Ce(4+) ions in the bulk of ZrO2 leads to a photoactive material sensitive to visible light. This is shown by monitoring with EPR the formation and the reactivity of photogenerated (λ > 420 nm) charge carriers. The effect, as confirmed by DFT calculations, is due to the presence in the solid of empty 4f Ce states at the mid gap, which act as intermediate levels in a double excitation mechanism. This solid can be considered an example of a third-generation photoactive material.

Keywords: DFT; EPR spectroscopy; charge separation; third-generation photoactive systems.