ABSTRACT
Hydrogenation of graphene is of particular interest because several experimental and theoretical studies have demonstrated that the band gap of hydrogenated graphene can be tuned by varying the degree of hydrogenation, and this process can even be reversed to recover pristine graphene. Compared to the graphene-hBN system, the hBN substrate has a very different effect on the band gap of hydrogenated graphene. Although the process might result in a different configuration of hydrogenated graphene compared to graphone, the polarization of the underlying graphite surface will have a similar effect on the band gap of the hydrogenated graphene on the surface. The band offsets suggest that hBN can also be used as a gate dielectric in the devices based on graphene and hydrogenated graphene. The calculations presented in the chapter explain the experimentally observed zero band gap nature of graphene on hBN.
