▎ 摘　　要

Herein, we studied the variation of band gaps and effective masses of doped graphene. The gaps of mono and dual doped graphene decay with respect to unit cell size following a curve of the form beta N-alpha. The exponent has a small variation and an average value of -3/2. The pre-exponential term presents a larger dispersion as the heteroatom is changed. In some cases, such as Si-doped graphene, the gaps could not be fitted to the aforementioned type of curve because the gaps are close to zero. Using these curves for P doped graphene, we estimated that for a unit cell with 5000 atoms, one P atom is expected to open a gap close to 0.05 eV, as indicated by HSE calculations. The effective masses of holes and electrons also follow a curve of the form beta N-alpha as the unit cell is increased. Yet, in contrast with the results obtained for gaps, the exponents determined for Si, P and S doped graphene exhibit a larger variation. For dual doped graphene, the introduction of a second dopant to P-doped graphene (namely, B or N), decreases the effective masses. This result suggests that dual-doped graphene is an interesting material to develop graphene based electronic devices. (C) 2017 Elsevier B.V. All rights reserved.