Inspired by the catalytic conversion of methane with cytochrome P450 enzymes[1],we synthesized catalysts based on iron phthalocyanine(FePc),where the active centers,FeN4,are confined within graphene plane.First-principles density functional theory calculations have been applied to study the process of methane conversion catalyzed by the confined FeN4.Under the reaction conditions of the H2O2 aqueous,the O-FeN4-O structures are formed,as shown in Figure 1.The methane conversion proceeds along a methyl radical pathway,where the rate-determining step is the C-H bond cleavage.The generated methyl radical is quite easy to combine with hydroxyl groups to form methanol.In experiments,it has been confirmed that the catalysts based on confined FeN4 can successfully activate methane at room temperature,and the turnover frequency is much higher than that on FePc.