Earth is home to rich reserves of methane, making it an attractive feedstock and a foremost competitor for the production of green fuel. The myriad occurrence of methane can be attributed to its stable nature. Higher symmetry (Td) along with close shell electronic conguration, wide HOMO-LUMO gap (≈ 8.9 eV), and four stable C-H bonds (E bd ≈ 4.5 eV), makes it thermodynamically and kinetically stable at room temperature. Given the signicant mass percentage of hydrogen (25.13%) in methane, it is widely used for hydrogen production. Steam Methane Reforming (SMR) and Fischer-Tropsch (FT) synthesis are widely used processes for conversion of methane to hydrogen as well as to value-added products like methanol, formic acid, formaldehyde, higher hydrocarbons, and FT fuels. However, stability of methane makes it resistant to electrophilic and nucleophilic attacks. For most methane conversion reactions, the rst C-H bond cleavage is the primary and the rate-limiting step. This motivates the rational design of a catalyst aiming at reducing the activation barrier for C-H bond dissociation.