Fig. 3: PDOS analysis for various nitrogen species adsorbed on Kagome-terminated FeSn.

PDOS of the Fe-d_z² orbital of the adsorption site (purple) and distant site (blue) after adsorption of a N₂^*, b N₂H^*, c N₂H₂^*, d N^*, e NH^*, and f NH₂^*. The definitions of different sites are presented in Supplementary Fig. S1.