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·2025
A Structure‐Defined Cu(I) Dual‐Atom Catalyst with a Cu <sub>2</sub> N <sub>6</sub> Motif in a Metal‐Organic Framework for CO Electroreduction
Jonghoon Park, Namgyoo Park, Wei-Sen Chen, Sojung Park, Sujee Cho, Eunji Jin, Jae Hwa Lee, Wooyul Kim, Wonyoung Choe, Mu‐Jeng Cheng, Youngkook Kwon, Hoi Ri Moon
IF 16.9Angewandte Chemie International Edition
초록

The electroreduction of carbon monoxide (CO) provides a sustainable pathway to valuable multi-carbon (C<sub>2+</sub>) products, contributing to carbon neutrality. Enhancing coupling efficiency and selectivity for C<sub>2+</sub> formation hinges on precise control of the spatial arrangement of catalytic sites where CO molecules adsorb. Here, we introduce a structurally well-defined Cu(I) dual-atom catalyst (DAC) embedded in a metal-organic framework (MOF) that is synthesized via a thermal transformation. Single-crystal X-ray diffraction (SCD) reveals Cu<sub>2</sub>N<sub>6</sub> motifs with a Cu-Cu distance of 3.6 Å, stabilized by tetrazolate within a 2D layer, ensuring CO accessibility and efficient coupling. The catalyst achieves a Faradaic efficiency (FE) of 72% for C<sub>2+</sub> products at a partial current density of -430 mA cm<sup>-2</sup>, and a maximum C<sub>2+</sub> FE of 86% at a total current density of -200 mA cm<sup>-2</sup>. In situ spectroscopy and density functional theory (DFT) calculations reveal that the paired Cu nodes stabilize key C<sub>2</sub> intermediates via distinct binding configurations, underpinning the system's exceptional performance.

키워드
CatalysisCarbon monoxideDensity functional theoryFaraday efficiencyMoleculeSelectivityCarbon fibersLinker
타입
article
IF / 인용수
16.9 / 1
게재 연도
2025