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Dependence of Stretch Length on Electrical Conductance and Electronic Structure of the Benzenedithiol Single Molecular Junction

机译:拉伸长度对苯并二硫醇单分子结的电导和电子结构的依赖性

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We have investigated the current-voltage (I -V ) curves of the benzenedithiol (BDT) single molecular junction as a function of stretch length of the junction. The BDT single molecular junction was prepared with the nano fabricated Au electrodes using the mechanically controllable break junction (MCBJ). The conductance of the BDT single molecular junction gradually decreased with the stretching length of the junction. We analyzed the obtained I -V curves based on the two different models; the single channel model and the field emission model. Based on the single channel model, it was revealed that the decrease in conductance was mainly caused by the decreases in the metal-molecule coupling and that the HOMO approached to the Fermi level with the decrease in the electrode separation. The energy shift of the HOMO was supported by the analysis based on the field emission model.
机译:我们已经研究了苯二硫醇(BDT)单分子结的电流-电压(i-i-V)曲线与结的拉伸长度的关系。使用机械可控的断裂结(MCBJ),用纳米制造的Au电极制备BDT单分子结。 BDT单分子结的电导随着结的拉伸长度逐渐减小。我们基于两个不同的模型分析了获得的 I- V曲线;单通道模型和场发射模型。基于单通道模型,揭示了电导的降低主要是由于金属-分子耦合的降低引起的,并且随着电极间距的降低,HOMO接近费米能级。基于场发射模型的分析支持了HOMO的能量转移。

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