A crucial task towards creating a sustainable chemical industry is the electrification of chemical processes that produce value-added molecules. One such molecule is 1,3-butadiene (1,3-BD), the feedstock used for manufacturing synthetic rubber. 1,3-BD is traditionally derived, as a by-product, during the energy-intensive steam cracking of naphtha to ethylene. Here we introduce an alternative approach to selectively produce 1,3-BD from the electroreduction of acetylene (e-C₂H₂R). By using a potassium iodide electrolyte, we created Cu^δ+–Cu⁰ sites on a Cu₂O-nanocube-derived catalyst, which are efficacious for promoting e-C₂H₂R to 1,3-BD. 1,3-BD was formed with a Faradaic efficiency reaching 93% at −0.85 V versus standard hydrogen electrode (SHE) and a partial current density of −75 mA cm⁻² at −1.0 V versus SHE. Density functional theory calculations show that I⁻ preserves Cu^δ+–Cu⁰ sites, which facilitate the favourable binding of acetylene, leading to 1,3-BD formation through the coupling of *C₂H₃ moieties.

创建可持续化学工业的一项关键任务是实现产生增值分子的化学过程的电气化。其中一种分子是 1,3-丁二烯 （1,3-BD），这是用于制造合成橡胶的原料。传统上，1,3-BD 是石脑油在能源密集型蒸汽裂解成乙烯过程中产生的副产品。在这里，我们介绍了一种从乙炔的电还原 （e-C₂H₂R） 选择性生产 1,3-BD 的替代方法。通过使用碘化钾电解质，我们在 Cu₂O-纳米立方体衍生的催化剂上创造了 Cu^δ+–Cu⁰ 位点，这些位点可有效促进 e-C₂H₂R 转化为 1,3-BD。与标准氢电极 （SHE） 相比，1,3-BD 在 -0.85 V 下的法拉第效率达到 93%，与 SHE 相比，在 -1.0 V 下的部分电流密度为 -75 mA ^cm-2。密度泛函理论计算表明，I⁻ 保留了 Cu^δ+–Cu⁰ 位点，这促进了乙炔的有利结合，导致通过 *C₂H₃ 部分的偶联形成 1,3-BD。