▎ 摘 要
We investigated effects of hydrogen passivation of edges of armchair graphene nanoribbons (AGNRs) on their electronic properties using first-principles method. The calculated band gaps of the AGNRs vary continually over a range of 1.6 eV as a function of a percentage of sp(3)-like bonds at the edges. This provides a simple way for band gap engineering of graphene as the relative stability of sp(2) and sp(3)-like bonds at the edges of the AGNRs depends on the chemical potential of hydrogen gas, and the composition of the sp(2) and sp(3)-like bonds at the edges of the AGNRs can be easily controlled experimentally via temperature and pressure of H-2 gas.