Photosynthesis of urea from N and CO using dual active site SiWMo@MIL-101(Cr) at room temperature

The one-step synthesis of urea at room temperature and pressure from N 2 and CO 2 has enormous economic and environmental benefits. In this study, a SiW 6 Mo 6 @MIL-101(Cr) photocatalyst was synthesized employing a dual active site regulation strategy, reaching 1148 μg h −1 g cat −1 and 100% selectivity for urea under optimal experimental conditions. Both performance tests and DFT calculations unequivocally establish that SiW 6 Mo 6 @MIL-101(Cr) serves as a bifunctional photocatalyst, offering dual active sites for the proficient adsorption and activation of N 2 and CO 2 . MIL-101(Cr) immobilizes SiW 6 Mo 6 , enhances dispersion and gas adsorption capacity, and supplies additional electrons through light absorption for reduction reactions. Importantly, the W site in SiW 6 Mo 6 is assigned for the activation of nitrogen, whereas the Mo site is assigned for the activation of CO 2 . The rate-limiting step of urea synthesis involves the interaction of *CO and *N 2 , forming a tower-like intermediate *NCON*, where the dual active sites play a crucial role in reducing the reaction barrier. SiW 6 Mo 6 @MIL-101(Cr) serves as a bifunctional photocatalyst, offering dual active sites for the reduction of N 2 and CO 2 to photosynthesize urea.