Structural and electronic properties of Ce‐doped Ti 4 O 7 based on experiments and first‐principles calculations

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A series of Ti 4 O 7 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 Ti 4 O 7 during the reduction process, only occurs in the form of Ce 3+ , and the solubility of Ce is equal to 8.93 at.%. Furthermore, the electrical conductivity of Ce‐doped Ti 4 O 7 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 Ti 4 O 7 powders, which is due to the decrease in the number of electronic states near the Fermi energy level caused by the introduction of Ce.