中文摘要：

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.

英文摘要：

With the weak-coupling approach in molecular vibrational normal coordinate,the charge transmission under external optical field through molecular nano-junction is studied.From the charging energy point of view,the sequential charge transmission is analyzed and the current-voltage characteristics under external optical field are studied.It is found that the vibrational effect of molecule is the key factor of the removal of Franck-Condon blockage under external optical field.Furthermore,the effects of charging energy and intra-molecular vibrational energy redistribution （IVR） in charge transmission under external optical field are studied in detail.