Fig. 5: DFT of Cu/CN.

a Adsorption energy of glucose at non vacancy and N vacancy sites on CN surface. b Adsorption energy of H2O2 at N vacancy, non-vacancy, and Cu single-atom sites on Cu/CN surface. The energy distribution corresponding to different transition states in (c) glucose conversion, d generation and conversion of H2O2, and e water splitting. The illustration in (c) shows the (1) complete equation, (2) oxidation reaction occurring at the valence band position, and (3) (4) reduction reaction of H2O2 generated by single electron transfer of O2 at the conduction band position, respectively.