fig6

Figure 6. (A) Modeling of oxygen-/nitrogen-doped graphene. (B) Summary of calculated binding energies of Zn atoms with all possible configurations of pristine and O- and N-doped graphene. (C) Model structures for the most stable adsorption sites of Zn atoms. (D) Charge density differences of pristine graphene/Zn, e₁O/Zn and pyN/Zn. (E) Schematic showing the ideal transition from monomers to the polyimide precursor, polyimide, and derived O-/N-codoped carbon^[128]. Copyright 2022, American Chemical Society.