An electron counting formula to explain and to predict hydrogenated and metallated borophenes.
Rinkumoni ChalihaD Sravanakumar PerumallaEluvathingal D JemmisPublished in: Chemical communications (Cambridge, England) (2022)
A generalized electron counting rule for borophene with varying hole density explains the preference for hydrogenation in β 12 borophene of hole density ⅙. Interplay between bridging and terminal BH bonds controls the strength of interaction of the 2D layer with the metal surface.