The results confirm the expected elongation of the O-O bond length in O 2 after adsorption on the surface, with variations depending on the dopant. This change strongly correlates with the adsorption energies presented in Figure . Notably, boron-doped MoTe 2 stands out, showing significantly significantly increased distance between oxygen atoms by 0.89 Å. This substantial change suggests the potential breaking of the bond between oxygen atoms. The second-largest elongation of the bond is observed in the Al-doped sheet, with a value of 0.19 Å, followed by Si-, P-, and C-MoTe 2 . It becomes evident that sheets doped with low-atomic-number elements from groups 13-15 have the greatest impact on the molecule's bonding, further emphasizing their influence on the chemical activity of the sheet. The observed elongation of the O-O bond directly translates to weaker bonding between the atoms, as demonstrated in Figure . Consequently, the value of ∆E O 2 shows the largest difference upon adsorption on boron-doped MoTe 2 , with a value of 5.72eV, further supporting the dissociation of the molecule. This is followed by a still considerable 0.82eV for Al-MoTe 2 , indicating a noticeable weakening of the O-O bond. Subsequently, adsorption of O 2 on C, Si, and P doped sheets changes the molecule bond energy by values between 0.4 and 0.6 eV, while the values decrease to between 0.2 and 0.4 eV for Ga, Ge, As, In, Sn, Sb, and Tl doped MoTe 2 . In the case of the remaining atoms, the impact on the molecule's bonding is even less substantial.