异核分子
电催化剂
材料科学
法拉第效率
钼
催化作用
电化学
原子单位
Atom(片上系统)
纳米技术
组合化学
电极
化学
物理化学
立体化学
有机化学
物理
核磁共振波谱
冶金
嵌入式系统
量子力学
计算机科学
作者
Kaian Sun,Ke Yu,Jinjie Fang,Zewen Zhuang,Xin Tan,Yue Wu,Yunqi Liu,Zhongbin Zhuang,Yuan Pan,Chen Chen
标识
DOI:10.1002/adma.202206478
摘要
Abstract Electrochemical CO 2 reduction (ECR) is becoming an increasingly important technology for achieving carbon neutrality. Inspired by the structure of naturally occurring Mo‐dependent enzymes capable of activating CO 2 , a heteronuclear Mo–Se dual‐single‐atom electrocatalyst (MoSA–SeSA) for ECR into CO with a Faradaic efficiency of above 90% over a broad potential window from −0.4 to −1.0 V versus reversible hydrogen electrode is demonstrated here. Both operando characterization and theoretical simulation results verify that MoSA acts as central atoms that directly interact with the ECR feedstock and intermediates, whereas the SeSA adjacent to MoSA modulates the electronic structure of MoSA through long‐range electron delocalization for inhibiting MoSA poisoning caused by strong CO adsorption. In addition, the SeSAs far from MoSA help suppress the competing hydrogen evolution side reaction and accelerate the CO 2 transport by repelling H 2 O. This work provides new insight into the precise regulation and in‐depth understanding of multisite synergistic catalysis at the atomic scale.
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