Solvent backaction on single electron transport in redox molecular nanojunctions

这个德国-以色列的研究项目研究了在极性溶剂中操作的纳米级氧化还原分子结的传导特性。关键思想是利用溶剂波动对电子电荷通过分子传导的反作用效应来检测溶剂的关键性质。这样的设置可以很容易地用作溶剂特征参数的分子全电子纳米传感器的基础，例如，检测溶解在极性溶剂中的目标物质浓度或ph浓度的超微小变化。我们打算对这种装置进行原理验证。我们将使用基于模型的分子量子输运方法与来自分子实际模拟的输入参数的精细组合。氧化还原分子纳米桥非常适合这一目的，因为它们基于两个本质传导通道工作。因此，一个通道负责分子桥上电子的定位，而第二个通道产生传导信号。本项目的主要目标是研究溶剂对定位特性的额外影响，并识别其在传导信号中的特征。可能的技术应用是可以预见的。

This German-Israeli research project addresses the conduction properties of nanoscale redox molecular junctions which operate in a polar solvent. The key idea is to use the backaction effect of the solvent fluctuations on the conduction of electronic charge through the molecule to detect key solvent properties. Such a set-up can readily be used as a basis for a molecular all-electronic nanosensor for the characteristic parameters of the solvent, e.g., to detect ultrasmall changes of concentrations of target species dissolved in a polar solvent, or pH-concentrations. We intend to work out the proof-of-principle of such a device. We shall use a refined combination of a model-based approach of molecular quantum transport with input parameters from realisticsimulations of molecules. Redox molecular nanobrigdes are ideally suited for this purpose, since they operate on the basis of two intrinsic conduction channels. One channel is thereby responsible for the localization of an electron on the molecular bridge, while the second channel generates the conductionsignal. It is the primary goal of this project to study the additional influence of the solvent on the localization properties and to identify its signatures in the conduction signal. Possible technological applications are foreseeable.