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Effects of contact geometry and nitrogen atoms on the electronic transport properties of Phenazine Compounds
ZHAO Jingfen #,ZOU Dongqing,LIU Desheng *
School of Physics, Shandong University, Jinan 250100, China
*Correspondence author
#Submitted by
Subject:
Funding: Ph.D. Programs Foundation of Ministry of Education of China（No.20130131110007）
Opened online: 5 May 2017
Accepted by: none
Citation: ZHAO Jingfen,ZOU Dongqing,LIU Desheng.Effects of contact geometry and nitrogen atoms on the electronic transport properties of Phenazine Compounds [OL]. [ 5 May 2017] http://en.paper.edu.cn/en_releasepaper/content/4725643
 
 
By using the nonequilibrium Green's function formalism in combination with the density functional theory, we have studied the electronic transport properties of three phenazine derivatives which are linked to gold electrodes through thiol-gold bonds. We can see that the currents through the top configurations are remarkably larger than that of hollow ones. That is to say, the contact position does affect the electronic transport properties. We also find that the molecule devices exhibited negative differential resistance phenomenon when the metal-molecule contact model is top. The mechanisms are proposed for these phenomena.
Keywords:phenazine compounds; contact geometries; negative differential resistance
 
 
 

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