Dissociation mechanisms of CH4 on pristine, N-doped and vacancy graphene by DFT study

Methane is used as the carbon precursor for the fabrication of C/C composites by using chemical vapor infiltration. Demystify the heterogeneous reactions on the carbon surface during the pyrolysis of methane is important for us to understand the formation and growth of the pyrocarbon. In this paper, the dissociation mechanisms from CH4 to C2H2 on pristine graphene, N-doped graphene, and vacancy graphene during the chemical vapor infiltration...