【摘要】 有机分子中电子传递受到诸多因素的影响,纳米电极、界面、环境和分子本身都是必须要系统考察的因素.本文从理论模拟和实验研究两个方面总结了在分子尺度上电子传递研究的最新进展.着重讨论了分子动力学方法模拟纳米电极的制备,量子化学方法研究电场作用下的分子构象及分子电导,另外还讨论了扫描隧道显微术和电化学方法研究单分子结的电子传递.分子电子传递的研究不仅涉及微观的实验测量,从宏观的实验结果通过合理的分析推导,也可以得到微观的信息.更多还原

【Abstract】 Electron transfer through organic molecules is affected by several factors. The influence of electrodes, the interface between the organic molecule and electrodes, the environment and the molecular structure should be considered. In this paper, we reviewed theoretical and experimental studies of molecular electron transfer, such as the molecular dynamics simulations on the formation of the metallic electrodes, quantum chemistry studies on molecular conformation and conductance, and experimental studies of electron transfer in molecular junction using scanning probe microscopy and electrochemistry. Among the experimental methods, microscopic techniques such as scanning probe microscopy have been developed to study molecular electron transfer. Alternatively, macroscopic measurements have also been instructive to obtain the microscopic structural information.更多还原