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Site-directed electronic tunneling through a vibrating molecular network

机译:通过振动分子网络的定点电子隧穿

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The effect of electronic-nuclear coupling on electronic transport through a complex molecular network is studied. Electronic tunneling dynamics in a network of N donor/acceptor sites, connected by molecular bridges, is shown to be controlled by electronic-nuclear coupling at the bridges. Particularly, electronic coupling to an accepting nuclear mode at the contact site between the donor and the rest of the network is shown to affect the tunneling path selection to specific acceptors. In the "deep" tunneling regime, the network is mapped onto an N-level system using a recursive perturbation expansion, enabling analytical treatment of the electronic dynamics. The analytic formulation is applied for two model systems, demonstrating site-directed tunneling by electronic-nuclear coupling. Numerical simulations suggest that this phenomenon is not limited to the deep tunneling regime. (c) 2006 American Institute of Physics.
机译:研究了电子核耦合对通过复杂分子网络的电子传输的影响。通过分子桥连接的N个供体/受体位点网络中的电子隧穿动力学显示出受桥上电子核耦合的控制。特别是,在供体和网络其余部分之间的接触点,电子耦合到接受核模式会影响到特定受体的隧道路径选择。在“深度”隧道机制中,使用递归扰动扩展将网络映射到N级系统,从而可以对电子动力学进行分析处理。该解析公式适用于两个模型系统,通过电子核耦合演示了定点隧道效应。数值模拟表明,这种现象不仅限于深隧道效应。 (c)2006年美国物理研究所。

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