معدلی , محمد

[ 1 ] - بررسی ابتدا به ساکن جذب سطحی نانو زنجیره نقره بر روی گرافین

In this paper, the long-range Van Der Walls dispersion force correction (vdW-DF) for a combined system consisting of an Ag-chain adsorbed on a monolayer of graphene is studied. Calculations are based on density functional theory (DFT) performed by using various LDA, PBE and BLYP approximations. Since Ag chain is weakly adsorbed on graphene sheet, the Van Der Waals contribution to the total adso...