化学
电化学
选择性
不对称
再分配(选举)
铜
乙醇
电催化剂
无机化学
动能
光谱学
密度泛函理论
氧化还原
化学反应
化学还原
活动站点
反应机理
还原(数学)
电极
余热
箔法
限制
配体(生物化学)
电子
计算化学
电子光谱学
作者
Qin‐Bao Lian,Yu‐Peng Han,Wan‐Ting Xia,Qi Li,Fei Wang,Jian Zhang
标识
DOI:10.1002/anie.202525945
摘要
RR) to ethanol is constrained by copper's intrinsic kinetic preference for the ethylene-forming *CO→*COH pathway over the ethanol-selective *CO→*CHO route. Conventional solutions break this preference by introducing extrinsic chemical heterogeneity. Herein, we report an approach to generating electronic asymmetry in a homometallic system. The in-situ construction of a chemically bonded interface between a binuclear Cu-MOF and copper foil (cf) induces electron transfer, transforming symmetric Cu dimers into cooperative, charge-asymmetric dual sites. These sites function as a kinetic gate, raising the barrier for *CO→*COH while lowering it for *CO→*CHO to direct selectivity toward ethanol, as confirmed by in-situ spectroscopy and DFT. The findings indicate that interfacial electron redistribution can provide a straightforward means to encode functional asymmetry in homometallic electrocatalysts and to modulate multistep reaction pathways.
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