The Transition State (TS) analysis is performed for potent SACs where maximum bond elongation and adsorption is observed, using the CI-NEB and ID method. The metal atom interacts weakly with CH 4 molecule if it's d-orbitals are lled, whereas strong interaction occurs when d-orbitals are partially lled. Ru, Co, and Rh/Cu(111) show better chemical reactivity towards methane dissociation, where activation barrier is found to be much lower than that of Cu(111) surface. Our calculations provide atomic level insights into the mechanism of methane activation on SACs, and identify Ru/Co/Rh doped Cu(111) as a potent catalyst for rst C-H bond dissociation.