Table 3. Formation Energies Ef (in eV) of the Lanthanide-based MXenes Terminated by the Fluorine and Hydroxyl Groups Based on Their Unit Cells.
| M2CT2 | T = F | T = OH |
|---|---|---|
| M = Ce | –14.8 | –18.4 |
| M = Pr | –16.1 | –19.7 |
| M = Nd | –18.1 | –21.7 |
| M = Sm | –24.6 | –28.1 |
| M = Eu | –22.2 | –25.8 |
| M = Gd | –31.7 | –35.4 |
| M = Tb | –27.6 | –31.4 |
| M = Dy | –24.1 | –27.8 |
| M = Ho | –20.5 | –24.9 |
| M = Er | –19.1 | –22.8 |
| M = Tm | –13.4 | –20.4 |
| M = Yb | –12.3 | –16.1 |