(3) where, R X and R Te are the radii of the dopant and Te, respectively. As expected, the results demonstrate that, as the covalent radius increases, dopant atoms relax at higher positions. Consequently, it can be generally anticipated that atoms larger than Te will occupy higher positions in this layer, while the smaller one will be below it. However, beyond this overarching trend, it is also quite apparent that the values of ∆h X-Te and ∆R X-Te do not exhibit a complete correlation, indicating the interplay with the valence configuration of the dopant. The effect is most apparent period 2, were orbital hybridization of the dopants close to sp 2 is still available due to their small covalent radii. In this period, the valence radius decreases for atoms from successive groups. However, despite this decrease, these atoms consistently relax at higher positions. This illustrates that, even with the option of a horizontal geometric configuration, as seen in atoms from lower groups, elements can still show a preference for out-of-plane bonding interactions. This preference can be attributed solely to the valence configurations of the dopants, which vary between groups, favoring hybrids with different values of λ and consequently affecting their optimized positions within the sheet.This pattern persists in a similar fashion for periods 3 and 4, with the exception that atoms from group 14 (Si and Ge) exhibit notably lower relaxation positions. This behavior may be attributed to their electronic configuration, which also results in a relatively small corrugation of these atoms in silicene and germanene. Moreover, even the larger group 13 atoms (In and Tl) still relax below the Te layer despite their larger valence radius, which suggests that the atoms can still strengthen the X-Mo interaction by reducing its vertical component. However, the bonding remains relatively weak (see Figure ) compared to that observed for neighboring atoms in group 14 (Sn and Pb). In periods 5 and 6, atoms from these groups exhibit distinct behaviors. In contrast to group 13, those from group 14 exhibit a significantly more out-ofplane nature of X-Mo interactions, despite having similar valence radii. This results in much stronger binding with neighboring Mo, highlighting a substantial difference in the hybridization they adopt.