Influence of Doping on Electronic Properties to Graphene-Al/N Sheet by Using Density Function Theory

In this research, we study Influence of Doping on Electronic Properties to Graphene-Al/N Sheet by Using Density Function Theory. The results of the ground state total energy, The total energy be the largest value at Pure Graphene Sheet and it was decreased with increasing the number of Al and N atoms in G-Al/N 3 Lines Sheet. The energy gap Eg are few, Pure Graphene Sheet (0.035ev). Fermi energy value increase for each of the Pure Graphene Sheet and G-Al/N 3 Lines Sheet, respectively, that means the electrons in these molecules have a large escaping tendency. The IP and EA are decrease with Adding the Al / N compound. Pure Graphene Sheet has the highest value for electronegativity, the reason goes back to the symmetrical distribution of the electrons.