无定形固体
催化作用
法拉第效率
联轴节(管道)
密度泛函理论
化学工程
材料科学
化学
多相催化
无定形碳
电合成
甲烷氧化偶联
纳米技术
无机化学
化学物理
电流密度
电化学
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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