fig18

Figure 18. (A) LSV curves of Cu₆(MBD)₆ under saturated CO and Ar; (B) FEs of ECO₂RR products (CH₄, C₂H₄, and CO) at different applied potentials for Cu₆(MBD)₆; (C) Current densities of ECO₂RR products on Cu₆(MBD)₆; (D) Charge density contrast plots at Cu₆(MBD)₆/CO₂ and Cu₈(^tBuS)4(L2)₄/CO₂ interface; Density of states relative to Fermi level on Cu atom in (E) Cu₆(MBD)₆ and (F) Cu₈(^tBuS)₄(L2)₄; Different modes of CO₂ binding with Cu sites considering d_x2-y2 and d_xz as highest occupied d orbitals in (G) Cu₆(MBD)₆ and (H) Cu₈(^tBuS)₄(L2)₄, respectively; (I) Free energy diagram of CO₂RR on Cu₆(MBD)₆ at -1.4 V. This figure is reproduced with permission from Ref.^[58], © 2023 Wiley-VCH GmbH. RHE: Reversible hydrogen electrode.