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篇目详细内容 |
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【篇名】 |
Ab initio study of transport properties of an all-carbon molecular switch based on C20 molecule |
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【刊名】 |
Frontiers of Physics in China |
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【刊名缩写】 |
Front. Phys. China |
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【ISSN】 |
1673-3487 |
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【EISSN】 |
1673-3606 |
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【DOI】 |
10.1007/s11467-007-0003-x |
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【出版社】 |
Higher Education Press and Springer-Verlag |
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【出版年】 |
2007 |
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【卷期】 |
2
卷1期 |
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【页码】 |
36-40
页,共
5
页 |
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【作者】 |
OUYANG Fang-ping;
XU Hui;
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【关键词】 |
transport properties; C20 molecule; molecular junction; density-functional theory |
【摘要】 |
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Choosing closed-ended armchair (5, 5) single-wall carbon nanotubes (CCNTs) as electrodes, we have investigated the electron transport properties across a carbon molecular junction consisting of a C20 molecule sandwiched between two semi-infinite carbon nanotubes. It is shown that the Landauer conductance of this carbon hybrid system can be tuned within several orders of magnitude not only by varying the tube-C20 distance, but more importantly by changing the orientation of the C20 molecule and rotating the C20 molecule or one of the tubes around the symmetry axis of the system at fixed distances. This fact could make this all-carbon molecular system a possible candidate for a nano-electronic switching device. Moreover, our study also reveals that molecular configuration selection and structural relaxation would play an important role in the design of such devices. |
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