Efficient conducting channels formed by the 蟺-蟺 Stacking in single 2,2paracyclophane molecules

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	Efficient conducting channels formed by the 蟺-蟺 Stacking in single 2,2paracyclophane molecules
	Bai, Meilin ; Liang, Jinghong ; Xie, Liqiang ; Sanvito, Stefano ; Mao, Bingwei ; Hou, Shimin ; 毛秉伟
刊名	http://dx.doi.org/10.1063/1.3692184
	2012
关键词	Adatoms Benzene Calculations Electrodes Ethylene Experiments Fermi level Gold Molecules Quantum electronics Transport properties
英文摘要	The electronic transport properties of single 2,2paracyclophane molecules directly connected to gold and platinum electrodes have been investigated both theoretically and experimentally by using first-principles quantum transport simulations and break-junction experiments. For comparison, investigations on 3,3- and 4,4-paracyclophanes have also been performed. Our calculations show that the strength of the - interaction in paracyclophanes is critically dependent on the inter-ring distance. In contrast to 4,4paracyclophane in which the - interaction is very weak due to the large inter-ring distance, the - interaction in 2,2- and 3,3-paracyclophanes is rather strong and dominates the electronic transport properties. In particular, for the asymmetric Au-2,2paracyclophane-Au junction in which the 2,2paracyclophane molecule is connected to each gold electrode through a Au adatom and the two Au adatoms are attached in 1-fashion to two carbon atoms in the benzene backbones connecting with different ethylene groups, the transmission coefficient at the Fermi level is calculated to be 1.0 10-2, in excellent agreement with experiments. When the gold electrodes are replaced by platinum, the calculated transmission coefficient at the Fermi level of the symmetric Pt-2,2paracyclophane-Pt junction with one Pt adatom used as the linker group is increased to 0.83, demonstrating that the - stacking in 2,2paracyclophane is efficient for electron transport when the molecule-electrode interfaces are electronically transparent. This is confirmed by our preliminary experimental studies on the Pt-2,2paracyclophane-Pt junctions, for which the low-bias junction conductance has reached 0.40 0.02 G0 (G0 is the conductance quantum). These findings are helpful for the design of molecular electronic devices incorporating - stacking molecular systems. 漏 2012 American Institute of Physics.
语种	英语
出版者	American Institute of Physics
内容类型	期刊论文
源URL	[http://dspace.xmu.edu.cn/handle/2288/89545]
专题	化学化工－已发表论文
推荐引用方式 GB/T 7714	Bai, Meilin,Liang, Jinghong,Xie, Liqiang,等. Efficient conducting channels formed by the 蟺-蟺 Stacking in single 2,2paracyclophane molecules[J]. http://dx.doi.org/10.1063/1.3692184,2012.
APA	Bai, Meilin.,Liang, Jinghong.,Xie, Liqiang.,Sanvito, Stefano.,Mao, Bingwei.,...&毛秉伟.(2012).Efficient conducting channels formed by the 蟺-蟺 Stacking in single 2,2paracyclophane molecules.http://dx.doi.org/10.1063/1.3692184.
MLA	Bai, Meilin,et al."Efficient conducting channels formed by the 蟺-蟺 Stacking in single 2,2paracyclophane molecules".http://dx.doi.org/10.1063/1.3692184 (2012).