fig19

Figure 19. (A) Schematic illustration of the OER pathway for Ni_0.5Fe_0.5-THQ; (B) Adsorption energy of OH^- on Fe and Ni sites in Ni_0.5Fe_0.5-THQ; (C) Free energy diagram for OER on Ni-THQ, NiFe-THQ (Fe-site or Ni site) and Fe-THQ; (D) TDOS and (E) PDOS diagrams of Ni-THQ, Ni_0.5Fe_0.5-THQ, and Fe-THQ; (F) The differential charge density image of Ni_0.5Fe_0.5-THQ, reproduced with permission^[132]. Copyright 2021, Wiley-VCH. OER: Oxygen evolution reaction; THQ: tetrahydroxy-1,4-benzoquinone hydrate; TDOS: total density of states; PDOS: partial density of states.