材料科学
催化作用
密度泛函理论
法拉第效率
乙醇
电化学
原位
吸收光谱法
傅里叶变换红外光谱
光化学
电子转移
光谱学
转移加氢
无机化学
电催化剂
兴奋剂
吸收(声学)
乙烯
乙醇燃料
红外光谱学
碳纤维
电流密度
化学工程
分析化学(期刊)
选择性
作者
Yingjie He,Yao Tan,Qiuwen Liu,Bojing Sun,Qin Chen,Baixiong Liu,Kang Liu,Min Liu
标识
DOI:10.1002/aenm.202506794
摘要
ABSTRACT Electrochemical CO reduction to ethanol offers a sustainable route for carbon utilization, but the uncontrollable hydrogenation pathway in post C─C coupling limits its selectivity. Herein, we introduced Pb doping to modulate the carbophobicity of Cu catalyst, thereby directing hydrogenation toward the β‐C of the key * CH 2 CHO intermediate and boosting ethanol production. Density functional theory calculations revealed that Pb incorporation reduced electron transfer from Cu to * CH 2 CHO, weakening the Cu─C bond and favoring the β‐C hydrogenation over the ethylene pathway. In situ X‐ray absorption spectroscopy confirmed that Pb doping lowered the electron density at Cu sites, resulting in weakened CO adsorption, consistent with a carbophobic catalyst surface. In situ attenuated total reflectance Fourier transform infrared spectroscopy further revealed suppressed CO coverage and enhanced accumulation of ethanol‐pathway intermediates ( * OC 2 H 5 ) on the Pb‐doped Cu. As a result, the optimized PbCu catalyst achieved an ethanol Faradaic efficiency of 55.2% with a partial current density of ∼500 mA cm −2 , outperforming most reported CO reduction catalysts. This work highlights carbophobicity engineering as a powerful strategy to fine‐tune intermediate binding and selectively drive ethanol production in CO/CO 2 electroreduction.
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