Enhanced thermoelectric performance of monolayer MoSSe, bilayer MoSSe and graphene/MoSSe heterogeneous nanoribbons

Physical Chemistry Chemical Physics : PCCP
Shuo DengYan Zhang

Abstract

Graphene has many superlative thermal, electrical and mechanical properties. However, the thermoelectric performance of graphene is limited by its high thermal conductivity and small Seebeck coefficient. To address this problem, monolayer and bilayer MoSSe nanoribbons together with graphene/MoSSe heterostructures have been investigated in this work. The electron and phonon transport, and the thermoelectric properties of the monolayer and bilayer MoSSe nanoribbons, together with the graphene/MoSSe heterostructures, have been analyzed by first-principles methods in conjunction with non-equilibrium Green's function and the Landauer equation. The results indicate that figure of merit (ZT) values of 2.01 and 1.64 can be achieved for graphene/SeMoS stacked nanoribbons and symmetric armchair MoSSe nanoribbons respectively at 300 K, which are much higher than the ZT value of prime graphene (ZT ∼ 0.05). The maximum ZT values of these structures increase at T < 350 K, while the maximum ZT decreases at high temperatures (T > 350 K). However, the maximum ZT values of the symmetric armchair MoSSe nanoribbons show an increase with temperatures up to 550 K. From our analysis, phonon thermal conductivity and temperature are key factors determi...Continue Reading

References

Sep 7, 2006·Journal of Computational Chemistry·Stefan Grimme
Jan 26, 2008·Nature Materials·G Jeffrey Snyder, Eric S Toberer
Sep 2, 2009·Nano Letters·Young-Jun YuPhilip Kim
Jan 11, 2013·Nano Letters·Michele BuscemaAndres Castellanos-Gomez
Apr 6, 2013·The Journal of Chemical Physics·Wei HuJinlong Yang
Apr 25, 2014·Physical Chemistry Chemical Physics : PCCP·Wen HuangGengchiau Liang
Feb 24, 2015·ACS Applied Materials & Interfaces·Andrzej TaubeMariusz Zdrojek
May 17, 2017·Nature Nanotechnology·Ang-Yu LuLain-Jong Li
Aug 5, 2017·ACS Nano·Jing ZhangJun Lou
Nov 25, 2017·The Journal of Physical Chemistry Letters·Fengping LiYing Dai
Jan 11, 2018·Nanoscale·Adili AiyitiBaowen Li
Feb 28, 2018·Physical Chemistry Chemical Physics : PCCP·San-Dong Guo
May 11, 2018·The Journal of Physical Chemistry Letters·Yan LiangYing Dai
Oct 20, 2018·Nano Letters·Mattias PalsgaardMads Brandbyge

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Citations

Sep 23, 2020·Chemical Reviews·Tomojit ChowdhuryThomas J Kempa

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