Haiss Wolfgang, Wang Changsheng, Grace Iain, Batsanov Andrei S, Schiffrin David J, Higgins Simon J, Bryce Martin R, Lambert Colin J, Nichols Richard J
Centre for Nanoscale Science and Department of Chemistry, University of Liverpool, L69 7ZD, UK.
Nat Mater. 2006 Dec;5(12):995-1002. doi: 10.1038/nmat1781. Epub 2006 Nov 26.
There is much discussion of molecules as components for future electronic devices. However, the contacts, the local environment and the temperature can all affect their electrical properties. This sensitivity, particularly at the single-molecule level, may limit the use of molecules as active electrical components, and therefore it is important to design and evaluate molecular junctions with a robust and stable electrical response over a wide range of junction configurations and temperatures. Here we report an approach to monitor the electrical properties of single-molecule junctions, which involves precise control of the contact spacing and tilt angle of the molecule. Comparison with ab initio transport calculations shows that the tilt-angle dependence of the electrical conductance is a sensitive spectroscopic probe, providing information about the position of the Fermi energy. It is also shown that the electrical properties of flexible molecules are dependent on temperature, whereas those of molecules designed for their rigidity are not.
关于分子作为未来电子器件组件的讨论颇多。然而,接触、局部环境和温度都会影响它们的电学性质。这种敏感性,尤其是在单分子水平上,可能会限制分子作为有源电子组件的应用,因此设计和评估在广泛的结配置和温度范围内具有稳健且稳定电响应的分子结非常重要。在此,我们报告一种监测单分子结电学性质的方法,该方法涉及对分子的接触间距和倾斜角进行精确控制。与从头算输运计算的比较表明,电导对倾斜角的依赖性是一种灵敏的光谱探针,可提供有关费米能级位置的信息。还表明,柔性分子的电学性质取决于温度,而设计为刚性的分子则不然。