All-carbon nanoswitch based on C70 molecule: A first principles study
All-carbon nanoswitch based on C70 molecule: A first principles study
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DOI：
10.1063/1.2779263
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发表时间：
2007-09
影响因子：
3.2
通讯作者：
Fangping Ouyang;Hui Xu;T. Fan
中科院分区：
文献类型：
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作者：
Fangping Ouyang;Hui Xu;T. Fan
利用第一性原理输运理论计算了基于C70分子与两个扶手椅型单壁碳纳米管连接的全碳分子结的电子输运性质。结果表明，该碳混合系统的Landauer电导可以调谐在几个数量级内，不仅通过改变C70分子的取向，而且通过旋转的管在固定的距离围绕系统的对称轴。这一事实可能使这种纯碳分子系统成为纳米电子开关器件的可能候选者。此外，我们还研究了这种分子器件的氮掺杂效应。结果表明，分子构型选择和氮掺杂将在这种开关器件中发挥重要作用。
We have demonstrated the electron transport properties of an all-carbon molecular junction based on the C70 molecule connecting with two armchair single-wall carbon nanotubes using first principles transport calculations. It is shown that the Landauer conductance of this carbon hybrid system can be tuned within several orders of magnitude not only by changing the orientation of the C70 molecule but also by rotating one of the tubes around the symmetry axis of the system at fixed distances. This fact could make this pure-carbon molecular system a possible candidate for a nanoelectronic switching device. Moreover, we have also studied the nitrogen doping effect of such a molecular device. The results reveal that molecular configuration selection and nitrogen doping would play important roles in such switching devices.