Many experiments have been performed on different carbon materials with O2 as the reacting gas, and adsorption of O2 was performed at low surface temperatures. Similarly, the DFT and MD simulations were limited to studies on single-layer graphene. On a complex surface, additional groups could be formed. For example, MD simulations of Bagri et al. indicate the formation of 5-membered carbon rings, quinones in 1-2, 1-4 configurations . Sun et al.