fig16

Figure 16. (A) Structure of the Cd₆Se₆ cluster encapsulated in NU-1000 at a node site (Cd₆Se₆@NU-1000). The unit cell of the system is denoted by a solid line. (B) Total and partial density of states of Cd₆Se₆@NU-1000. The Fermi level is set to zero and denoted by a black dashed line. The highest occupied crystal orbital (HOCO) is on the linker, and the lowest unoccupied crystal orbital (LUCO) is on the cluster. The highest-energy occupied orbitals on the linker and the lowest-energy unoccupied orbitals on the cluster are highlighted in yellow^[106]. Copyright 2020, American Chemical Society (C) Schematic presentation for the synthesis of UiO-68-NHC, Au-NC@UiO-68-NHC, and UiO-68-NH₂/Au mixture. (D) Time courses of CO evolution by PCR using UiO-68-NHC, Au-NC@UiO-68-NHC,UiO-68-NH₂, and Au/UiO-66-NH₂ as photocatalysts upon AM 1.5 G irradiation^[107]. Copyright 2021 Wiley-VCH.