Maryam, Nayebzadeh - De partment of ch emistry, K.N. Toosi Univer sity of Techno logy, Tehran, Iran
Seifollah, Jalili - De partment of ch emistry, K.N. Toosi Univer sity of Techno logy, Tehran, Iran

Graphene is a single layer of Carbone atoms disp osed in a honeycomb lattice and it is predicted to be a v ery promising material for future el ectronics du e to several useful properties such as high mobility of the charge carries and high crystal quality. The electrical and chemical propert es of graphene (C۲۴H۱۲) were st udied. The optimized, energy gap and electr onic structure for this proposed carbon ۲D mode ls are reported. It was found that through hydrogenated pro cess, the graphene have semiconductor behavio r. In this pap er we investigate the int eraction of alkali metals elements such as lithiu m, sodium and potassiu m with gra phene sheet. We have d etermined the structura l and elect ronic prope rties of gra phene before and after of interaction with the adatoms. T his is important because of the ad sorption of alkali metals increase the conductivity on the graphene sheet [۱-۴].

Grap hene, DFT, Coronene, Density of State, Band Gap.