where Q(O 2 @X-MoTe Analysing Figure , we note a correlation between adsorption energy values and the previously described distance between the dopant and the molecule. For pristine monolayer, which exhibit the biggest d X-O , value of adsorption energy reaches -0.2168 eV, being the weakest adsorption observed. Moving forward, groups 16 and 17 displayed large, over 2.5 Å dopant-molecule distances, predictably also show weaker adsorption energies. In contrast, groups 13-15, which facilitate much lower dopant-molecule distances, close to sum of covalent radii of dopant and oxygen, exhibit much stronger adsorptions. Examining individual groups closely, we observe that group 16 atoms have very negligible impact on layer chemical activity. These atoms do not significantly increase the adsorption energy, and, on average, the oxygen molecule is positioned farthest from them. These dopants share electronic configurations with Te, resulting in similar hybridization and charge availability for bonding with the adsorbed molecule. Therefore, the slightly higher adsorption energies for lower-period elements in the group are most likely attributed to the combined effects of vdW and electrostatic forces, since, as discussed in doping section and illustrated in Figure , the elements accumulate more electronic charge upon adsorption into the Te vacancy of MoTe 2 . Group 17 dopants result in somewhat stronger adsorption than group 16 atoms have, however still not as strong as those in groups 13-15. Notably, in this context, the adsorption energy exhibit the opposite behavior compared to group 16, with adsorption strength increasing for higher periods. Although this increase is even less substantial than the one in group 16, the trend presents.