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Facet-dependent photocatalytic hydrogen generation over MOF NH2-MIL-125(Ti) under visible light was investigated, both experimentally and theoretically.

Visible light-driven photocatalytic reduction of CO 2 into value-added chemical fuel is considered as an up-and-coming pathway for CO 2 conversion utilizing green solar energy. Herein, we report heterostructures of NH 2 -MIL-101(Fe)/g-C 3 N 4 (g-C 3 N 4 = polymeric graphite-like carbon nitride) as prominent photocatalysts for the reduction of CO 2 via a solvent-free reaction. Among these heterogeneous photocatalysts, NH 2 -MIL-101(Fe)/g-C 3 N 4 -30 wt % referred to as MCN-3 shows superior catalytic activity for photocatalytic reduction of CO 2 to CO with a CO yield of 132.8 μmol g −1 , which is more than 3.6 times higher than that for pristine NH 2 -MIL-101(Fe) and 6.9 times higher than that for sole g-C 3 N 4 . In virtue of the elaborate designed photocatalysts and the gas−solid interfacial route, the heterostructure of NH 2 -MIL-101(Fe)/g-C 3 N 4 with efficient interfacial electron transfer between NH 2 -MIL-101(Fe) and g-C 3 N 4 results in the boosted photocatalytic reduction of CO 2 upon visible light irradiation.