▎ 摘　　要

Chemical doping is promising route to modify and control the electronic properties of graphene Nanosheet (GNS). The electronic properties of the GNS are investigated with and without various concentrations of phosphorus impurities in the various sites by using the first-principles of the density functional theory (DFT) method, which realized in Quantum Espresso packages. My founding results show that the electronic band structure of the GNS is not only depending on the concentrations of phosphorus impurities, but also depending on the geometrical pattern of phosphorus impurities in the GNS. Furthermore, I found out that there is an electronic band gap with a single phosphorus impurities and it is increased with increasing the concentrations of phosphorus impurities. Also, total energy is affected and decreased with increasing the concentrations of phosphorus impurities, which is led to make all structures are unstable and more reactive. Then, phosphorus impurities are significantly contributing to engineering, control and alter the electronic properties of the GNS, which is very important in various applications.