Dynamic Adaptation of Active Site Driven by Dual‐side Adsorption in Single‐Atomic Catalysts During CO2 Electroreduction

Single‐atom iron embedded in N‐doped carbon (Fe−N−C) is among the most representative single‐atomic catalysts (SACs) for electrochemical CO2 reduction reaction (CO2RR). Despite the simplicity of the active site, the CO2‐to‐CO mechanism on Fe−N−C remains controversial. Firstly, there is a long debate...

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Veröffentlicht in:	Angewandte Chemie 2024-12, Vol.136 (52), p.n/a
Hauptverfasser:	Tran, Nam Van, Liu, Jiyuan, Li, Shuzhou
Format:	Artikel
Sprache:	eng
Schlagworte:	Carbon dioxide Catalysts Catalytic activity Chemical reduction CO2 electroreduction Density functional theory Electrochemistry Grand-canonical DFT Hydrogen evolution reactions Iron Kinetic Monte-Carlo Reaction mechanisms Single-atomic catalysts
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