S-scheme homojunction and activate site engineering over TiO2 for highly efficient photocatalytic nitrogen fixation

The presence of efficient catalytic active sites and an ample supply of electrons are the two indispensable factors for achieving photocatalytic nitrogen fixation. Herein, the Fe-doped TiO2 S-scheme anatase/rutile homojunction (F-T-A/R) was synthesized as a brilliant photocatalyst for photocatalytic nitrogen fixation from N2 to NH3 under ambient atmosphere. The optimized F-T-A/R photocatalyst (A/R = 98:2, Fe-2 wt%) exhibits an unprecedented NH3 generation rate of 358 μmol gcat-1h−1 in water solvent and under simulated solar light irradiation. Experimental and theoretical studies reveal that the constructed S-scheme homojunction in F-T-A/R is conducive to fluent charge separation and adequate supply of electrons on rutile with higher nitrogen fixing activity, while the tuned local electronic structure of oxygen vacancy with Fe doping is engineered to strengthen active sites, synergistically enhancing the photocatalytic nitrogen fixation.