Accelerated electrocatalytic urea synthesis via atomic-ordering-mediated d–p orbital hybridization in ternary intermetallic Pd3Bi0.5In0.5 metallene

Abstract

A ternary intermetallic metallene (i-Pd₃Bi_0.5In_0.5ene) was synthesized via a one-step solvothermal method and employed to promote the electrochemical synthesis of urea from CO₂ and NO₃⁻. The catalyst achieves 38.8% faradaic efficiency and 1516 μg h⁻¹ mg_cat.⁻¹ yield rate at −1.3 V (vs. Ag/AgCl) through Bi/In–Pd synergistic effects, with in situ Fourier transform infrared spectroscopy and density functional theory calculations revealing the C–N coupling pathway.