In this work, a novel Cu-Pd heterostructure, derived from CuCl-PdO_x hexagonal microplates, was prepared to tune selective single hydrocarbon production from electrochemical CO₂ reduction. The CuCl-PdO_x hexagonal microplates were synthesized by a dual-potential electrodeposition technique, followed by electrochemical reduction to form Cu-Pd heterostructure. This Cu-Pd heterostructure exhibited a much higher CO₂-to-CH₄ selectivity (32% Faradaic efficiency, FE) compared to pure Cu or Pd. Moreover, Cu-Pd heterostructure showed excellent suppression on C₂H₄ generation (below 1% FE) compared to reported Cu nanostructure. The density functional theory calculations suggested that the hollow site of Pd region in the Cu-Pd heterostructure can stablize CO* intermediate and selectively lower the energy demand for CH₄ formation rather than C₂H₄. This work provides new opportunities of designing Cu-based electrocatalysts for selective CO₂ reduction to single hydrocarbon.

在这项工作中，从CuCl-PdO _x六角形微孔板衍生出一种新颖的Cu-Pd异质结构，以调节从电化学CO ₂还原选择性的单烃生产。通过双电位电沉积技术合成了CuCl-PdO _x六角形微孔板，然后电化学还原形成Cu-Pd异质结构。与纯Cu或Pd相比，这种Cu-Pd异质结构显示出更高的CO ₂ -CH ₄选择性（32％法拉第效率，FE）。此外，Cu-Pd异质结构对C ₂ H ₄表现出优异的抑制作用相较于所报告的铜纳米结构，其生成量（低于1％FE）。密度泛函理论计算表明，Cu-Pd异质结构中Pd区域的中空位点可以稳定CO *中间产物，并选择性降低形成CH ₄的能量需求，而不是C ₂ H ₄。这项工作为设计用于选择性地将CO ₂还原为单一碳氢化合物的铜基电催化剂提供了新的机会。