Cu-based catalysts inevitably undergo surface reconstruction during the electrochemical carbon dioxide reduction reaction (CO2RR) process. Thus, it is a challenge to construct stable Cu+-Cu0 sites of Cu-based catalysts. In this study, we report a simple and facile engineering strategy for stable Cu+-Cu0 sites and oxygen defects derived from the boron-doped copper composite catalyst (B-CuxO) as an efficient CO2RR electrocatalyst. The 5 % B-CuxO exhibited 48.44 % C2+ products Faraday efficiency (FE) for 12 h at −1.0 V vs reversible hydrogen electrode (RHE) in H-cell, which was far superior to CuxO (23.85 %). Combining density functional theory (DFT) and in situ Attenuated Total Reflection Fourier Transform Infrared spectroscopy (in situ ATR-FTIR), a higher electronic depletion on the catalyst surface inhibited the electrons accumulation around Cu sites, thereby maintaining the positive charge and inhibiting the complete reduction of Cu+. Moreover, the high oxygen defects in 5 % B-CuxO could effectively activate CO2 into *CO. We emphasized that Cu+ functioned as the primary active site by facilitating adsorption and dimerization of *CO, whereas Cu0 assisted in optimizing CO2 activation.

中文翻译：

---

在硼掺杂氧化铜中设计稳定的 Cu+-Cu0 位点和氧缺陷，用于将 CO2 电催化还原为 C2+ 产品


铜基催化剂在电化学二氧化碳还原反应（CO2RR）过程中不可避免地要经历表面重构。因此，构建稳定的Cu基催化剂的Cu+-Cu0位点是一个挑战。在这项研究中，我们报告了一种简单易用的工程策略，用于稳定的 Cu+-Cu0 位点和源自硼掺杂铜复合催化剂 (B-CuxO) 的氧缺陷，作为一种高效的 CO2RR 电催化剂。与 H 电池中的可逆氢电极 (RHE) 相比，5% B-CuxO 在 -1.0 V 下持续 12 小时表现出 48.44% C2+ 产物法拉第效率 (FE)，远远优于 CuxO (23.85%)。结合密度泛函理论（DFT）和原位衰减全反射傅立叶变换红外光谱（原位ATR-FTIR），催化剂表面较高的电子耗尽抑制了Cu位点周围的电子积累，从而保持了正电荷并抑制了完全减少Cu+。此外，5％B-CuxO中的高氧缺陷可以有效地将CO2活化成*CO。我们强调 Cu+ 通过促进 *CO 的吸附和二聚化作为主要活性位点，而 Cu0 则有助于优化 CO2 活化。