▎ 摘　　要

The integrated mechanism of the catalytic oxidation of NO by N2O on the metal-free support of nitrogen doped graphene (NG) is investigated using density function theory calculations. The results indicate that the N2O can be intensively adsorbed on NG support, while the NO, N-2, NO2 are all weakly adsorbed. In the oxidation process, a two-step mechanism is identified: the dissociation of N2O followed by the oxidation of NO with the dissociative O-atom. The present work suggests that the NG support, as a high-efficient and metal-free catalyst, is one of the promising candidates for removing the nitrogen oxides gases exhaust.