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	Effect of the continuity of the pi conjugation on the conductance of ruthenium-octene-ruthenium molecular junctions
	Ning, Jing ; Qian, Zekan ; Li, Rui ; Hou, Shimin ; Rocha, A. R. ; Sanvito, S.
刊名	journal of chemical physics
	2007
关键词	ELECTRON-TRANSPORT CONTACTS DEVICES
DOI	10.1063/1.2733655
英文摘要	The conductance of a family of ruthenium-octene-ruthenium molecular junctions with different pi conjugation are investigated using a fully self-consistent ab initio approach which combines the nonequilibrium Green's function formalism with density functional theory. Our calculations demonstrate that the continuity of the pi conjugation in the contact region as well as along the molecular backbone affects the junction conductance significantly, showing the advantage of using the ruthenium-carbon double bond as the linkage of conjugated organic molecules. (C) 2007 American Institute of Physics.; http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000246284800030&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=8e1609b174ce4e31116a60747a720701 ; Physics, Atomic, Molecular & Chemical; SCI(E); EI; PubMed; 10; ARTICLE; 17; 174706; 126
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/198373]
专题	信息科学技术学院
推荐引用方式 GB/T 7714	Ning, Jing,Qian, Zekan,Li, Rui,et al. Effect of the continuity of the pi conjugation on the conductance of ruthenium-octene-ruthenium molecular junctions[J]. journal of chemical physics,2007.
APA	Ning, Jing,Qian, Zekan,Li, Rui,Hou, Shimin,Rocha, A. R.,&Sanvito, S..(2007).Effect of the continuity of the pi conjugation on the conductance of ruthenium-octene-ruthenium molecular junctions.journal of chemical physics.
MLA	Ning, Jing,et al."Effect of the continuity of the pi conjugation on the conductance of ruthenium-octene-ruthenium molecular junctions".journal of chemical physics (2007).

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