Issue 39, 2012
From the journal:

Physical Chemistry Chemical Physics

Thermoelectric properties of armchair and zigzag silicene nanoribbons

L. Pan,a   H. J. Liu,*a   X. J. Tan,a   H. Y. Lv,a   J. Shi,a   X. F. Tangb  and  G. Zhengc  

* Corresponding authors

a Key Laboratory of Artificial Micro- and Nano-structures of Ministry of Education and School of Physics and Technology, Wuhan University, Wuhan 430072, China
E-mail: phlhj@whu.edu.cn

b State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070, China

c School of Physics and Information Engineering, Jianghan University, Wuhan 430056, China

Abstract

Using the nonequilibrium Green's function method and nonequilibrium molecular dynamics simulations, we discuss the possibility of using silicene nanoribbons (SiNRs) as high performance thermoelectric materials. It is found that SiNRs are structurally stable if the edge atoms are passivated by hydrogen, and those with armchair edges usually exhibit much better thermoelectric performance than their zigzag counterparts. The room temperature ZT value of armchair SiNRs shows a width-dependent oscillating decay, while it decreases slowly with increasing ribbon width for the zigzag SiNRs. In addition, there is a strong temperature dependence of the thermoelectric performance of these SiNRs. Our theoretical calculations indicate that by optimizing the doping level and applied temperature, the ZT value of SiNRs could be enhanced to as high as 4.9 which suggests their very appealing thermoelectric applications.

Graphical abstract: Thermoelectric properties of armchair and zigzag silicene nanoribbons

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Article information

DOI
https://doi.org/10.1039/C2CP42645E
Article type
Paper
Submitted
31 Jul 2012
Accepted
13 Aug 2012
First published
14 Aug 2012

Phys. Chem. Chem. Phys., 2012,14, 13588-13593

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Thermoelectric properties of armchair and zigzag silicene nanoribbons

L. Pan, H. J. Liu, X. J. Tan, H. Y. Lv, J. Shi, X. F. Tang and G. Zheng, Phys. Chem. Chem. Phys., 2012, 14, 13588 DOI: 10.1039/C2CP42645E

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