Nature Communications · 2023 · 169 citations · 67 references
Natural SciencesChemical EngineeringChemistryCatalysisElectrochemistryReaction EngineeringCatalyst DesignCatalytic MaterialsElectrochemical CellsElectrochemical Energy ConversionElectrochemical SynthesisElectrode MaterialsActive SitesC - C Coupling CatalysisCatalyst Active SitesCopper-catalyzed OxidationCurrent DensityElectrocatalyst DesignElectrocatalystsFaradaic Efficiency
Abstract Electroreduction of CO 2 to valuable multicarbon (C 2+ ) products is a highly attractive way to utilize and divert emitted CO 2 . However, a major fraction of C 2+ selectivity is confined to less than 90% by the difficulty of coupling C-C bonds efficiently. Herein, we identify the stable Cu 0 /Cu 2+ interfaces derived from copper phosphate-based (CuPO) electrocatalysts, which can facilitate C 2+ production with a low-energy pathway of OC-CHO coupling verified by in situ spectra studies and theoretical calculations. The CuPO precatalyst shows a high Faradaic efficiency (FE) of 69.7% towards C 2 H 4 in an H-cell, and exhibits a significant FE C2+ of 90.9% under industrially relevant current density ( j = −350 mA cm −2 ) in a flow cell configuration. The stable Cu 0 /Cu 2+ interface breaks new ground for the structural design of electrocatalysts and the construction of synergistic active sites to improve the activity and selectivity of valuable C 2+ products.
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
<i>Ab initio</i>molecular dynamics for liquid metals
Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations
Natural Sciences, Chemistry, Physics +17