【摘要】 在考虑到Pentacene分子的碳原子中的唯一个活跃的π电子的情况下,从理论上研究了两端接有金属电极的Pentacene分子带的Ballistic传导特性.利用相邻原子的HOMO和LUMO之间的小能量级差和相对低的LUMO值,得出了由金属电极桥接的Pentacene分子带的量子传导方程,讨论了金属电极和Pen-tacene分子间界面阻抗对传导性的影响,得出了通过Pentacene分子系统的传导流.更多还原

【Abstract】 The conductance characteristics of the pentacene molecular tap with the metal electrodes has been researched theoretically by considering only one π orbital electron per carbon atom.The ballistic transmission process through the pentacene molecular tap has been described,which is based on the less energy gap between HOMO and LUMO in the nearest atoms,and its relatively low LUMO.The interface resistance between the pentacene molecular tap and the metal electrodes has been discussed.The conductance current inside the pentacene molecular tap system has been obtained.更多还原