电催化剂
质子化
法拉第效率
选择性
吸附
材料科学
催化作用
支化(高分子化学)
化学
纳米技术
化学物理
电极
表面工程
硫黄
电流密度
密度泛函理论
联轴节(管道)
反应中间体
化学工程
膜
表面改性
合理设计
兴奋剂
离解(化学)
化学稳定性
作者
Ming-Zheng Gu,Yuan Min,Ling Jiang,Fu Zhou,Qiao Chen,Xiaojun Zhang,Jie‐Jie Chen,Han‐Qing Yu,Guangfeng Wang
标识
DOI:10.1038/s41467-025-67176-8
摘要
The challenge in precisely controlling the adsorption configuration of oxygen-binding intermediates in the branching path following C-C coupling constrains the directed selectivity of electroreduction CO2-to-ethanol. Here, we present a subsurface Co-doped CuS (Co-Sub-CuS) catalyst, which exhibits directed selectivity toward ethanol. We elucidate the role of subsurface doping in enhancing the oxophilicity of surface Cu sites, thereby facilitating the conversion of key intermediates (*CHCHO*) via the formation of surface-O bonds, guiding subsequent protonation towards ethanol. Moreover, the surface sulfur vacancies created by subsurface Co-doping help regulate the optimal distance between dual sites, facilitating asymmetric C-C coupling. Theoretical calculations combined with in-situ isotopic spectroscopy validate these views, and the branching pathway for converting *CHCO to *CHCHO* is captured. Consequently, in a membrane electrode assembly electrolyzer, the optimized Co-Sub-CuS achieves an ethanol Faradaic efficiency of 78.7% at a partial current density of 550.9 mA cm-2, with stability over 305 h at industrial-level current density of 700 mA cm-2. These findings provide a rational design for the development of directionally selective catalysts for CO2 electroreduction.
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