| Summary: | Methane is a vast hydrocarbon resource around the globe that has the potential to replace petroleum as a raw material and energy source. Therefore, the catalytic conversion of methane into high value-added chemicals is significantly important for the utilization of this hydrocarbon resource. However, this is a great challenge due to the high-energy input required to overcome the reaction barrier. Herein, a highly active catalytic conversion process of methane on an iron dimer anchored on a two-dimensional (2D) C<sub>2</sub>N monolayer (Fe<sub>2</sub>@C<sub>2</sub>N) is reported. Density functional theory calculations reveal that the superior properties of Fe<sub>2</sub>@C<sub>2</sub>N can be attributed to the formation of the Fe-O-Fe intermediate with H<sub>2</sub>O<sub>2</sub> as the O-donor molecule, which facilitates the formation of methyl radicals and promotes the conversion of methane. This finding could pave the way toward highly efficient non-precious metal catalysts for methane oxidation reactions.
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