Facet-Dependent Photocatalytic Behavior of Fe-soc-MOF for Carbon Dioxide Reduction

Exposing different facets on metal–organic frameworks (MOFs) is an efficient approach to regulate their photocatalytic performance for CO 2 reduction. Herein, Fe-soc-MOFs exposed with different facets were successfully synthesized, and the morphologies of Fe-soc-MOF exposed with eight {111} facets (Fe-soc-O) and that exposed with eight {111} and six {100} crystal facets (Fe-soc-M) are first reported. Fe-soc-MOFs have facet-dependent active sites on their surface and correspondingly different catalytic performance for photocatalytic CO 2 reduction. Fe-soc-O has the highest CO production of 1804 μmol g –1 h –1, while the Fe-soc-MOF exposed with six {100} facets (Fe-soc-C) has the best CO selectivity of 94.7%. Density functional theory (DFT) calculations demonstrate that the (111) facet has more favorable thermodynamic potential for CO 2 reduction and H 2 evolution compared with the (100) one, deriving from its facet-dependent active sites. This work shows that utilizing the facet-engineering strategy to regulate the active sites exposed on the surface of MOFs is feasible. The results display the relation between the facet of MOFs and the photocatalytic behavior for CO 2 reduction.