Details

Autor(en) / Beteiligte

• Pan, L
• Liu, H. J
• Tan, X. J
• Lv, H. Y
• Shi, J
• Tang, X. F
• Zheng, G

Titel

Thermoelectric properties of armchair and zigzag silicene nanoribbons

Ist Teil von

• Physical chemistry chemical physics : PCCP, 2012-10, Vol.14 (39), p.13588-13593

Ort / Verlag

Cambridge: Royal Society of Chemistry

Erscheinungsjahr

2012

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• 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. 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.