Strong dependence of band-gap opening at the Dirac point of graphene upon hydrogen adsorption periodicity
Strong dependence of band-gap opening at the Dirac point of graphene upon hydrogen adsorption periodicity
The band gap of periodically-doped graphene with hydrogen is investigated. It is found through a tight-binding model (TB) that for certain periodicities, called here NGPs (non-gap periodicities), no gap is opened at the Dirac point. This result is confirmed by Density Functional Theory (DFT) calculations. DFT results show that a …