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Issue 44, 2019
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Predicted high thermoelectric performance in a two-dimensional indium telluride monolayer and its dependence on strain

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Abstract

In recent years, another two-dimensional (2D) family, monolayer metal monochalcogenides (group IIIA–VIA), has attracted extensive attention. In this work, we adopt density functional theory (DFT) and the non-equilibrium Green's function (NEGF) method to systematically investigate the ballistic thermoelectric properties of the IIIA–VIA family, including GaS, GaSe, GaTe, InS, InSe, and InTe. Among others, the InTe monolayer possesses the highest figure of merit, ZT = 2.03 at 300 K, due to its ultra-low thermal conductance. Biaxial strain in the range of −10% (compressive) to 10% (tensile) is applied to the InTe monolayer and the strain-induced electronic and thermal transport properties are discussed. The maximum ZT (up to 2.7) for the InTe monolayer at 300 K is achieved under an 8% tensile strain.

Graphical abstract: Predicted high thermoelectric performance in a two-dimensional indium telluride monolayer and its dependence on strain

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Publication details

The article was received on 22 Aug 2019, accepted on 21 Oct 2019 and first published on 21 Oct 2019


Article type: Paper
DOI: 10.1039/C9CP04666F
Phys. Chem. Chem. Phys., 2019,21, 24695-24701

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    Predicted high thermoelectric performance in a two-dimensional indium telluride monolayer and its dependence on strain

    M. Li, K. Chen, D. Mo and S. Lyu, Phys. Chem. Chem. Phys., 2019, 21, 24695
    DOI: 10.1039/C9CP04666F

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