Abstract Designing a facile and high-yield strategy to prepare highly active and selective electrocatalysts for CO2 reduction is beneficial to the industrial application. However, there are still many challenges in catalyst preparation. Besides, further mechanism studies on catalytic process for enhancing CO2 reduction are not clear. Herein, We have found that nickel phthalocyanine facilely incorporated into defect-rich ketjenblack by π-π stacking method can greatly improve its ECR performance. Nickel phthalocyanine/ketjenblack compounds show high selectivity and activity, 251 times turnover frequency for converting CO2 to CO compared to pristine nickel phthalocyanine, and keep above FECO of 90% under large potentials regions from −0.65 to −1.05 V vs RHE. Fundamentally density functional theory (DFT) calculations reveal that nickel phthalocyanine molecules anchored onto ketjenblack enhance the electron acceptability, decrease the formation energy of the *COOH and inhibit the rival hydrogen evolution reaction (HER), thus showing extremely high synergistic catalytic properties in ECR.

中文翻译：

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协同吸附和活化锚定在科琴黑上的镍酞菁用于 CO2 电化学还原

摘要 设计一种简便且高产率的策略来制备用于 CO2 还原的高活性和选择性电催化剂有利于工业应用。然而，催化剂的制备仍然存在许多挑战。此外，对于促进 CO2 还原的催化过程的进一步机制研究尚不清楚。在此，我们发现通过 π-π 堆叠方法将镍酞菁轻松掺入富含缺陷的科琴黑可以大大提高其 ECR 性能。镍酞菁/科琴黑化合物显示出高选择性和活性，与原始镍酞菁相比，将 CO2 转化为 CO 的周转频率是 251 倍，并且在 -0.65 至 -1.05 V vs RHE 的大电位区域下保持高于 90% 的 FECO。