在纳米金属电极和分子组成的分子纳米结中,应用分子振动的简正坐标在弱耦合近似下研究了在光激发作用下电荷的输运过程,并从电离能的角度分析了顺序电荷转移的机理,研究了在光激发条件下分子纳米结的电流-电压特性.发现分子的振动效应是Franck-Condon阻滞在光激发作用下消失的关键因素,进而在理论上分析了分子的电离能在电荷输运中的作用,同时分析了IVR效应对光激发下分子纳米结中电荷输运的影响. In the molecular nanostructures of nanometer metal electrodes and molecules, the transport process of charge under photoexcitation is studied by using the simple coordinate of molecular vibration under the weak coupling approximation, and the charge transfer of sequential charge transfer is analyzed from the perspective of ionization energy Mechanism, the current-voltage characteristics of molecular nanostructures under photoexcitation conditions were investigated. It is found that the vibrational effect of the molecule is the key factor that Franck-Condon block disappears under photoexcitation, and then the molecular ionization energy Charge transport, and analyze the effect of IVR on charge transport in photo-excited molecular nanostructures.