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. 2022 Nov 7;7(45):40929–40940. doi: 10.1021/acsomega.2c03964

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