Structural and electronic properties of Ce‐doped Ti4O7 based on experiments and first‐principles calculations

Abstract

AbstractA series of Ti4O7 powders with different Ce‐cation doping concentrations were successfully prepared through a new strategy combining the wet chemical method and hydrogen thermal reduction. It is shown that Ce, entering the lattice of Ti4O7 during the reduction process, only occurs in the form of Ce3+, and the solubility of Ce is equal to 8.93 at.%. Furthermore, the electrical conductivity of Ce‐doped Ti4O7 powders was tested for the first time and theoretically explained by the first‐principles calculations. It was revealed that Ce provides a negative effect on the electrical conductivity of Ti4O7 powders, which is due to the decrease in the number of electronic states near the Fermi energy level caused by the introduction of Ce.