Issue 4, 2011
From the journal:

Physical Chemistry Chemical Physics

Theoretical investigation into molecular diodes integrated in series using the non-equilibrium Green's function method

Hongmei Liu,a   Nan Wang,a   Peng Li,a   Xing Yin,a   Cui Yu,a   Nengyue Gaoa  and  Jianwei Zhao*a  

* Corresponding authors

a Key Laboratory of Analytical Chemistry for Life Science (Ministry of Education), School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210008, P. R. China
E-mail: zhaojw@nju.edu.cn
Fax: +86 25-83594862
Tel: +86 25-83596523

Abstract

We have conducted a theoretical study on the electronic transport behaviour of two molecular diodes connected in series. The single diode is composed of o-nitrotoluene and o-aminotoluene connecting via a σ-bridge, and the tandem diode is two single diodes connecting via a π-bridge. It was found that the rectification ratio was greatly improved due to the electronic coupling in the tandem diode. The rectification ratio of the tandem molecular diode can be 20 times higher than that of the single diode, which is quite different from a traditional diode. In addition, we also found that the high rectification ratio correlates with the intramolecular coupling of the tandem system. When long conjugated wires are employed in two single diodes, the rectification ratio is reduced.

Graphical abstract: Theoretical investigation into molecular diodes integrated in series using the non-equilibrium Green's function method

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Article information

DOI
https://doi.org/10.1039/C0CP00118J
Article type
Paper
Submitted
03 Apr 2010
Accepted
29 Oct 2010
First published
09 Dec 2010

Phys. Chem. Chem. Phys., 2011,13, 1301-1306

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Theoretical investigation into molecular diodes integrated in series using the non-equilibrium Green's function method

H. Liu, N. Wang, P. Li, X. Yin, C. Yu, N. Gao and J. Zhao, Phys. Chem. Chem. Phys., 2011, 13, 1301 DOI: 10.1039/C0CP00118J

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