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侯士敏

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期刊论文

Effect of the continuity of the-conjugation on the conductanceof ruthenium-octene-ruthenium molecular junctions

侯士敏Jing Ning Zekan Qian Rui Li and Shimin Hou a)

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摘要/描述

The conductance of a family of ruthenium-octene-ruthenium molecular junctions with different πconjugation are investigated using a fully self-consistent ab initio approach which combines thenonequilibrium Green's function formalism with density functional theory. Our calculationsdemonstrate that the continuity of the π conjugation in the contact region as well as along themolecular backbone affects the junction conductance significantly, showing the advantage of usingthe ruthenium-carbon double bond as the linkage of conjugated organic molecules.

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【免责声明】以下全部内容由[侯士敏]上传于[2010年01月29日 14时48分37秒],版权归原创者所有。本文仅代表作者本人观点,与本网站无关。本网站对文中陈述、观点判断保持中立,不对所包含内容的准确性、可靠性或完整性提供任何明示或暗示的保证。请读者仅作参考,并请自行承担全部责任。

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