Since foregoing investigations have revealed the possibil-ity of spin conversion between the singlet and triplet states as beinginduced by spin–orbital coupling [19,21,23–25], the location of theminimum energy crossing points (MECPs) between the triplet andsinglet states potential energy surfaces (PESs) will be performed byusing MECP program [26] to explore the possibility of triplet O2dis-sociation on AlNNT.