Table 5. Adsorption Energy of H2O on Lattice Defects and Defect Clustersa.
| lattice defect and cluster | n(Pt2+)/n(Ce3+) | Ef (eV) |
|---|---|---|
| PtCe″-VO·· + H2O | ∞ | 1.59 |
| 2CeCe′-VO·· + 2H2O | 0.0 | 0.49 |
| 2CeCe′-PtCe″-2VO·· + 3H2O | 0.5 | 0.48 |
n(Pt2+) and n(Ce3+) are the number of lattice defects of Pt2+ and Ce3+.