Regulation of electronic and optical properties of monolayer black phosphorus by co-doping B and Si

The electronic and optical properties of B or Si single-doped phosphorene ones co-doped are computed compared by first-principles calculations. By doping, the bandgap decreases from 0.92 to 0.65 eV, while doping directly changes system a direct semiconductor metal. Compared with pristine phosphorene, absorption Si-doped is red shifted. black phosphorus can be regulated changing distance position between Si. Therefore, engineering used tune co-doping