Fig. 5: Intrinsic reactivity of 2D-Fe2C12.
From: Highly stable two-dimensional metal-carbon monolayer with interpenetrating honeycomb structures
a Charge differential density plots upon O2 adsorption on 2D-Fe2C12, respectively, with the yellow (cyan) isosurface representing charge accumulation (depletion). b Schematic showing the magnetism-induced catalytic activity of 2D-Fe2C12, transferring the electron in the partially filled Fe E1 band in the spin-down channel to O2. c The PDOS of O2 before and after adsorption. d Charge redistribution induced by CO and O2 co-adsorption on 2D-Fe2C12.
