Separation of photo-induced charges (electrons and holes) can exert important control over the lifetimes of photo-excited states. Such separation may be promoted in Metal-Organic frameworks (MOFs), which are organic-inorganic hybrid materials, through ligand-to-metal charge transfer (LMCT). In this chapter, we discuss our recent work on photocatalysis with Ce-based MOFs, which feature LMCT due to the low-lying empty 4f states of Ce(IV). We discuss the electronic structure of Ce-based UiO-66, the effects of linker functionalization and metal (Zr or Ti) doping on the electronic structure of Ce-based UiO-66, and the photoredox possibilities of the selected Ce-MOFs.
Bibliographical noteFunding Information:
The authors are grateful to Laura Gagliardi for collaboration. This research was supported as part of the Nanoporous Materials Genome Center by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences, under Award No. DE-FG02-17ER16362.
© 2019 American Chemical Society. All rights reserved.