مشخصات پژوهش

y means of density functional theory and non-equilibrium Green’s function methods, the calculations related to electron transport and quantum conductance through a zigzag-edge graphene nanoribbon (ZGNR) and its oxidized graphene containing (GO) form are performed. The computed I-V b (current as a function of bias voltage) characteristic of the studied systems showed the tunneling phenomenon in bias and gate voltages under consideration. It was found that, for the studied systems, NDR behaviors were observed, which for the symmetrical and assymetrical oxidized graphene nanoribbons, these NDRs arise from the interaction between the narrow density of states of the hydrogen terminated leads and discrete states in the scattering region. For the pristine zigzag graphene nanoribbo, a large bias makes asymmetric coupling between the electrodes and scattering region. This results in the creation of asym- metric potential profile because of depletion of charge and decrease of screening near the left electrode. Along with the transport properties, electronic properties including the total density of states (TDOS), projected density of states(PDOS), rectification and eigenchannels were calculated in the studied systems.