Electron Transport in Molecular Wires

It was found that the intermolecular distance between single molecular units, the number of molecules connected in parallel as well as the interaction strength plays an important role for controlling the transport of electrons in molecule wire. 1) The HOMO-LUMO gap (HLG) of one single SAM unit is reduces when increasing Ν or decreasing 𝒹. 2) The (HLG) is a critical parameter for the molecular conductance. When HLG decreases, CG decreases.3) CG depends on 𝒹 and Ν of SAMs. CG increases as 𝒹 increases and decreases Ν increases.4) the magnitude of the current increases dramatically and CG remains constant as Γ
₁
and Γ
₂
increase.