Investigation Effect of Aluminum Atom on the structural, Electronic and Optical Properties of Graphene Nanomaterials using DFT

In the two past decade graphene consider on of the important nanomaterials because it is having high surface area and unique properties like hardness and conductivity. In the present study structural, electronic and optical properties were carried by density function theory (DFT) calculation. FT-IR calculation show that all carbon groups in stretching and bending mode were appeared in the pure graphene materials, in addition the Al-C carbon groups were appeared in the Al-graphene system. From above results conclude that Al atom was had direct effect on the structural, electronic and optical properties of graphene materials