Band Structure Engineering of Single Pt Atoms on Fe−TiO2 for Enhanced Photocatalytic Performance

Abstract Single atomic site catalysts display the maximal atom‐utilization efficiency, unique structural properties, and remarkable enhancements on catalytic activity. Herein, single Pt atoms loaded Fe−TiO 2 catalysts were prepared. Fe 3+ doping leads to the formation of oxygen vacancies and improve the interaction between TiO 2 and Pt. Single Pt atoms are thus anchored and effectively modify the local energy band structure of TiO 2 . The optimized local band structures improve the intrinsic photoexcitation of Pt/Fe−TiO 2 , promote the separation of photogenerated carriers, and extend the lifetime of photogenerated carriers. Meanwhile, the electrons transfer from the excited dyes to the conduction band edge of Pt/Fe−TiO 2 is also facilitated due to the shift‐down of the conduction band edge. Therefore, with the increase of the Pt content (till up to 0.6 wt%), the photocatalytic performance of Pt/ Fe−TiO 2 with the confined single Pt atoms is significantly boosted in either the intrinsic or the sensitized photocatalytic process.