▎ 摘　　要

We study the adsorption of ethene-1,2-dione or ethylene-dione (OCCO) on defective graphene sheets with nitrogen. The principal motivation is to determine the feasibility of the OCCO molecule as an intermediate state in the transformation of CO2 into hydrocarbons. We observed that defective graphene systems present weak interactions with the adsorption of OCCO molecules, in the physisorption range. The most stable configuration is the pyridinic-N-OCCO system, which presents p-type doping, donating electrons to the adsorbed molecules. Also, this system has the best electronic transport, inducing substantially free states in the Fermi-energy level and the virtual zone of the local density of states, while increasing the reactivity of the system. The increment of available states in the Fermi-energy level and thermic stability at room temperature makes the pyridinic-N system an excellent candidate to stabilize the OCCO molecule.