Figure 5
The LUMO (eV), HOMO (eV) level, and the bandgap (eV) in each M@Ce12O836+ cluster model is based on the reference level as the vacuum level, as described in Table 3. The HOMO level is colored in blue, and the LUMO level is colored in red. In the undoped pure ceria, the HOMO and LUMO levels are colored in black.
