无定形固体
催化作用
法拉第效率
联轴节(管道)
材料科学
化学工程
密度泛函理论
化学
多相催化
无定形碳
甲烷氧化偶联
电流密度
纳米技术
无机化学
作者
Linjiao Zhou,Huihui Chen,Yubo Liang,Hanlin Rao,Lei Wang,Min Kuang,Jianping Yang
摘要
ABSTRACT The selective electroreduction of CO 2 to n ‐propanol is fundamentally constrained by sluggish C 1 ─C 2 coupling and the instability of key oxygenated intermediates. Here, we propose a quasi‐tandem catalytic strategy enabled by defect‐rich amorphous ZrO 2 , where the amorphous oxide‐metal interfacial environment promotes *CO generation, stabilization of oxygenated C 2 intermediates (*OCCOH), and subsequent C─C coupling toward n ‐propanol formation. The resulting catalyst, composed of amorphous ZrO 2 , Cu, and Ag, delivers a Faradaic efficiency of 23.2% ± 1.6% and a partial current density of 50.6 mA cm −2 for n ‐propanol, representing more than 2.5‐ and 3.5‐fold enhancements, respectively, compared to its crystalline ZrO 2 analogue. Density functional theory (DFT) calculations reveal that the amorphous ZrO 2 ─Cu interface, not only enhances the formation of *COH, but also significantly lowers the energy barriers for *CO‐COH coupling and *CO‐*OCCOH coupling toward n ‐propanol generation. These findings establish amorphous oxide‐metal interfacial engineering as an effective strategy for quasi‐tandem catalysis, enabling cooperative multistep C─C coupling pathways toward selective C 3 electrosynthesis from CO 2 .
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