“…Methane is used as a highquality carbon source for the deposition and production of carbon materials such as PyG, graphene, and fullerene, the nal product of methane pyrolysis is C and H 2 (ref. [42][43][44][45][46][47][48][49]. In the simulation box, the starting carbon source in the simulated system can be considered as the cracked carbon from CH 4 carbon source, and the carbon source ux rate was characterized by the carbon atom ux rate (CDR) deposited on the substrate, which was set to 10 ps −1 .…”