fig5

Figure 5. Crystal structure of Au₁₃Ag₁₂: BMIm: (A) full, (B) top view. Color code: Au, yellow; Ag, slate; P, orange; I, green; N, blue; C, gray and pink; (C) Urea FEs and the yield rates of a series of samples at -0.5 V (vs. RHE); (D) ESI-MS analysis of [Au₂₅(PPh₃)₁₀(SC₆H₄NH₂)X₂]²⁺ (X: Cl/Br) nanocluster in CO₂ saturated solution; (E) DFT structure of l-Au-BMIm and bond properties; (F) Two frontier MOs exhibit constructive overlap between Au orbitals and the carbene ligand; (G) DFT structure of I-Au-PPh₃ and bond properties; (H) The HOMO-2 orbital possesses s character identical with that of the HOMO-3 orbital in l-Au-BMIm. Color code: Au (gold), P (yellow), Cl (green), C (gray), N (blue). Reprinted with permission, 2024 Wiley-VCH^[70]. BMIm: 1, 3-Bimethylimidazole; FEs: Faradaic efficiencies; RHE: reversible hydrogen electrode; ESI-MS: electrospray ionization mass spectrometry; DFT: density functional theory; MOs: molecular orbitals; HOMO: highest occupied molecular orbital.