| الوصف: |
To explore the novel application of graphene nanomaterials, we investigate the structural, electronic and magnetic properties of transition metals (TM = V, Cr, Mn, Fe, Co and Ni) monatomic chains intercalated AA stacked bilayer graphene nanoribbons ([GTMG]w) using first-principles calculations. The combining processes of all the [GTMG]w compounds are exothermic except the [GCuG]w (w = 5, 6, 7, 8, 9) compounds, accompanying with larger formation energies and charges transfer. The formed TM–C ionic bonds are contributed to enhancing the stability of [GTMG]w compounds. The most stable intercalated structures, are the [GVG]w compounds for the different TM chain, and are the [GTMG]4 compounds for the different widths of bilayer graphene nanoribbons (w = 4, 5, 6, 7, 8, 9). The [GMnG]w compounds have the maximum magnetic moment, but the [GVG]w, [GNiG]w and [GCuG]w compounds have magnetic quenching phenomenon with zero magnetic moment. There are different magnetic properties for the even (w = 4, 6, 8) and odd (w = 5, 7, 9) widths of bilayer graphene nanoribbons in [GTMG] compounds. Therefore, the TM chains intercalated bilayer graphene nanoribbons exhibit tunable magnetic properties for potential spintronics applications. |
