催化作用
乙烯
法拉第效率
选择性
极化(电化学)
化学
电合成
溶剂
QM/毫米
化学工程
材料科学
密度泛函理论
水煤气变换反应
电催化剂
方向性
化学物理
反应中间体
电化学
光化学
阴极
反应机理
电子转移
表面张力
动力学
溶剂效应
多相催化
分子动力学
活动站点
纳米技术
联轴节(管道)
质子
作者
Xinzhe Song,Libing Zhang,Xiaomin Ma,Limin Wu,Xingxing Tan,W. Z. Li,Chaofeng Zheng,Shunhan Jia,Ruhan Wang,Xing Tong,Qingli Qian,Jiao Mu,Rongjuan Feng,Lin Hu,Xiaolong Wang,Xiaofu Sun,Buxing Han
标识
DOI:10.1002/ange.202520546
摘要
ABSTRACT Controlling reaction pathway via solvent polarization dynamics remains a grand challenge in catalysis due to elusive interfacial kinetic regulation mechanisms. Here, we resolve this dilemma by establishing interfacial water orientation that directly couples H 2 O polarization with reaction pathway bifurcation. Using electrocatalytic CO 2 reduction as a typical platform, we demonstrate that precisely engineered H‐down water alignment, achieved via adaptive subsurface tuning (AST) strategy of Ga‐doped Cu catalysts, dynamically regulates proton transfer directionality and intermediate stabilization. The optimized Ga/Cu catalyst achieved a Faradaic efficiency (FE) of 68.8% for ethylene at 800 mA cm −2 , surpassing ethanol production by 8.2‐fold, and the current density was among the highest reported for catalysts with high ethylene FE. Detailed experimental studies and theoretical calculations corroborate that H‐down alignment enhanced *H availability, directing protons to selectively cleave the C─O bond of *CHCOH intermediates over hydrogenation pathways, yielding high ethylene FE and current density. These findings establish interfacial water orientation as a pivotal descriptor for steering C─C coupling selectivity in electrocatalysis, offering a rational design principle for efficient electroreduction systems.
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