Cerium Metal–Organic Framework for Photocatalysis

into the node is an effective way to facilitate LMCT in a MOF. In addition, we show that by functionalizing the linker, it should be possible to engineer the electronic structure of the Ce-MOF for a desired reaction (e.g., water splitting) while preserving favorable LMCT. We also find that linker functionalization with electron donating or withdrawing groups allows tuning of the LMCT energy, and increasing the number of functional groups on each linker enhances the tuning; these findings are encouraging for applying Ce-MOFs for visible-response photocatalytic water splitting.