Theoretical study of electron-vibration coupling on carrier transfer in molecular bridges
Theoretical study of electron-vibration coupling on carrier transfer in molecular bridges
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DOI：
10.1380/ejssnt.2006.311
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发表时间：
2006-01-01
影响因子：
0.7
通讯作者：
Tsukada, Masaru
中科院分区：
文献类型：
--
作者：
Mitsutake, Kunihiro;Tsukada, Masaru
从理论上研究了电子在连接纳米电极的分子桥中的输运过程，分析了分子桥中电子与分子振动的耦合效应。随着转移积分的增加，桥分子的基态由极化子态转变为未修饰态。桥中的电子激发态也被确定。这些状态之间的跃迁概率估计的黄金法则，包括分子振动的激发。通过求解主方程，我们模拟了分子桥中的电子转移过程。
Electron transport through molecular bridges connecting nano-scale electrodes is investigated theoretically with the coupling effect of an electron with molecular vibrations in the bridge. The ground state of the bridge molecule changes from a polaron state to an undressed state with the increase of the transfer integral. The electronic excited states in the bridge are also determined. Transition probabilities between these states are estimated by the golden rule including the excitation of molecular vibrations. By solving the master equation with these transition probabilities, we simulate the electron transfer process in the molecular bridge.