The impact of partial H intercalation on the quasi-free-standing properties of graphene on SiC(0001)

[Display omitted] •Partial H interaction impacts properties of quasi-free-standing graphene (QFG).•Reduced H coverage results in effective n-type doping of the graphene sheet.•Reduced H coverage degrades the linear energy dispersion of bands π and π∗.•At low coverage of H strong chemical bonds are observed at the interface.•Graphene at 0.25 and 0.5 H interaction retains qualitative characteristics of QFG. Graphene has attracted huge attention due to its unique electronic properties, however, when supported those are significantly dependent on the interface interactions. One of the methods of decoupling graphene sheets from a substrate is hydrogen intercalation, which has been shown to produce quasi-free-standing (QFS) layers on a SiC(0001) surface. Still, the effects of incomplete H termination of SiC remain mostly unknown. This work investigates, employing density functional theory calculations, the impact of partial termination on the structural, and electronic properties of graphene. It is predicted that interfaces with partially damaged H layer or produced under a lower technological standard could still benefit from the intrinsic, however, quantitatively reduced, properties of QFS graphene.