▎ 摘 要
Through first-principles electronic structure calculations, the interaction between graphene and hydrogen impurities is investigated. While pure graphene has a zero band gap, hydrogen absorbed on graphene opens a band gap, which is calculated to be proportional to root rho, where rho is the density of hydrogens adsorbed on graphene. The adsorption energy (E-A) of H is shown to slightly increase as rho increases.