Interstitial anionic electrons as spin–charge reservoirs for sterically tuned single-atom catalysis in 2D electrides

Key Points

• The study aims to investigate the role of interstitial anionic electrons in enhancing single-atom catalysis within two-dimensional electrides.
• Analyzed the properties of two-dimensional van der Waals-stacked electrides.
• Studied charge-transfer mechanisms involving interstitial anionic electrons.
• Conducted comparative analysis with ionically stacked electrides.
• Identified the distinctive charge-transfer characteristics of interstitial anionic electrons.
• Demonstrated that intralayer confinement significantly enhances catalytic activity.
• Revealed potential applications in advanced catalysis and material design.