| N2O is harmful to the earth’s ecological environment,so it is necessary to study how to effectively remove N2O.Direct catalytic decomposition is one of the effective methods to remove N2O.The key of this method is to find suitable catalysts for adsorption and decomposition of N2O.Because of its good properties,the application of graphene oxide in the field of catalysts has been continuously studied and promoted.Based on the density functional theory of quantum mechanics,the adsorption of N2O on graphene oxide surface was studied in this article.Firstly,the adsorption of N2O on the surfaces of graphene oxide（GO）containing a single epoxy functional group was investigated.The results show that the adsorption of N2O on GO surface by O-end and N-end belongs to physical adsorption.Then the effect of adding Mg atom,Cu atom and Ag atom on the adsorption of N2O on GO surface was investigated.It was found that all three atoms could promote the adsorption of N2O on GO surface.Among them,Mg atom has the best effect.Thirdly,the adsorption of N2O on graphene oxide（G-2O）with two epoxy functional groups was discussed.The results show that the adsorption effect of N2O on the surface of G-2O with N-end is better than that with O-end,Finally,the effect of adding Mg and Cu atoms to the adsorption of N2O on the surface of G-2O was also discussed.It was found that thetwo kinds of atoms could promote the adsorption of N2O by G-2O,and there was little difference between them.However,the adding effect of Mg and Cu atoms to N2O adsorption on GO surfaces is better than that on G-2O surfaces. |
