阳离子聚合
卟啉
化学
共价键
法拉第效率
质子
动力学
光化学
催化作用
反应中间体
电催化剂
反应中间体
密度泛函理论
离子
组合化学
反应机理
电子转移
铜
工作(物理)
氢键
可逆氢电极
电化学
无机化学
化学动力学
还原(数学)
氢
质子耦合电子转移
作者
Jingwei Han,Qi Xu,Zonghang Zhang,Yu Hu,Jun‐Sheng Qin,Min Wang,Heng Rao
摘要
ABSTRACT Electrocatalytic reduction of CO 2 to CH 4 is hindered by sluggish proton‐coupled electron transfer kinetics and competing reaction pathways. Herein, we introduce a cationic microenvironment strategy that integrates reactant enrichment, proton regulation, and intermediate stabilization within a single framework. A tetra‐alkylammonium cation‐functionalized copper porphyrin covalent organic framework (Cu‐Tph‐COF‐N + ) achieves a CH 4 Faradaic efficiency of 66.8% at −1.2 V versus RHE, together with markedly enhanced turnover frequency and partial current density relative to its hydroxyl‐functionalized analogue. Mechanistically, the cationic framework generates a localized electrostatic field that concentrates CO 2 near active sites through charge‐dipole interactions while cooperatively interacting with hydrated K + ions to modulate proton transfer, thereby suppressing hydrogen evolution without compromising proton availability. The resulting electronic modulation at Cu porphyrin stabilizes key *COOH and *CHO intermediates and facilitates C–H bond formation, as supported by theoretical calculations and in situ spectroscopy. This work highlights cationic microenvironment engineering as a concise and general strategy to steer multi‐step CO 2 electroreduction toward deep reduction products.
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