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Mechanically controlled binary conductance switching of a single-molecule junction

机译:机械控制的单分子结的二进制电导切换

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Molecular-scale components are expected to be central to the realization of nanoscale electronic devices(1-3). Although molecular-scale switching has been reported in atomic quantum point contacts(4-6), single-molecule junctions provide the additional flexibility of tuning the on/off conductance states through molecular design. To date, switching in single-molecule junctions has been attributed to changes in the conformation or charge state of the molecule(7-12). Here, we demonstrate reversible binary switching in a single-molecule junction by mechanical control of the metal-molecule contact geometry. We show that 4,4'-bipyridine-gold single-molecule junctions can be reversibly switched between two conductance states through repeated junction elongation and compression. Using first-principles calculations, we attribute the different measured conductance states to distinct contact geometries at the flexible but stable nitrogen-gold bond: conductance is low when the N-Au bond is perpendicular to the conducting pi-system, and high otherwise. This switching mechanism, inherent to the pyridine-gold link, could form the basis of a new class of mechanically activated single-molecule switches.
机译:分子级组件有望成为实现纳米级电子设备的关键(1-3)。尽管在原子量子点接触中已报道了分子尺度的转换(4-6),但单分子结提供了通过分子设计来调节开/关电导状态的额外灵活性。迄今为止,单分子连接的转换归因于分子构象或电荷状态的改变(7-12)。在这里,我们通过金属分子接触几何的机械控制演示了单分子结中的可逆二进制开关。我们表明,4,4'-联吡啶-金单分子连接可以通过重复的连接伸长和压缩在两个电导状态之间可逆地切换。使用第一性原理计算,我们将不同的测量电导状态归因于在灵活但稳定的氮金键上不同的接触几何形状:当N-Au键垂直于导电pi系统时,电导率较低,否则较高。吡啶-金键固有的这种转换机制可以构成一类新的机械激活的单分子开关的基础。

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