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Issue 39, 2012
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Thermoelectric properties of armchair and zigzag silicene nanoribbons

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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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Publication details

The article was received on 31 Jul 2012, accepted on 13 Aug 2012 and first published on 14 Aug 2012

Article type: Paper
DOI: 10.1039/C2CP42645E
Citation: 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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