Tuning dual-Fe sites in Fe–N–C dual-atom catalysts by sulfur doping for enhanced CO₂ electroreduction: Insights from the first-principles computations
<p dir="ltr">This study explores the impact of sulfur doping on the surface and electronic structure of Fe–N–C dual-atom catalysts for electrochemical CO<sub>2</sub> reduction, using first-principles density functional theory (DFT) computations. By introducing one or two...
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2025
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