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Controlling the conductance of molecular junctions using proton transfer reactions: A theoretical model study

机译:使用质子转移控制分子连接的电导   反应:理论模型研究

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摘要

The influence of an intramolecular proton transfer reaction on theconductance of a molecular junction is investigated employing a generic model,which includes the effects of the electric field of the gate and leadselectrodes and the coupling to a dissipative environment. Using a quantummaster equation approach it is shown that, depending on the localization of theproton, the junction exhibits a high or low current state, which can becontrolled by external electric fields. Considering different regimes, whichrange from weak to strong hydrogen bonds in the proton transfer complex andcomprise situations with high and low barriers, necessary preconditions toachieve control are analyzed. The results show that systems with a weakhydrogen bond and a significant energy barrier for the proton transfer can beused as molecular transistors or diodes.
机译:利用通用模型研究了分子内质子转移反应对分子结电导的影响,该模型包括栅电极和引线电极的电场效应以及与耗散环境的耦合。使用量子主方程方法,结果表明,根据质子的位置,结表现出高电流状态或低电流状态,这可由外部电场控制。考虑到质子传递复合体中氢键从弱到强的不同机制,并包括高,低势垒的情况,分析了实现控制的必要前提。结果表明,具有弱氢键和显着​​的质子转移能垒的系统可以用作分子晶体管或二极管。

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