A new strategy for achieving N modified graphene and as protective coating for Cu: First-principles investigations

In this work, using first-principles calculations, the adsorption behavior of benzotriazole anion on defective graphene (DG) surface was investigated, the adsorption of benzotriazole anion on DG surface achieved the modification of N onto graphene. The calculated results showed that the benzotriazole anion could absorbed on DG, rather on pristine graphene (PG); the DG superior to PG as protective coating could stably anchor on Cu surface; Cu was...