Previous studies of the thermal transport in MoS2 are limited to the 0° (zigzag) and 30° (armchair) chiralities. We investigate the anisotropic thermal transport properties of MoS2 nanoribbons with various crystal chiralities by employing the full-band phonon dispersion relations obtained from first-principle calculations. The ribbons with chiralities other than 0° and 30° always have lower thermal conductivity, yet a local maximum at 19.1°. In addition, the thermal conductivity can be further decreased by increasing the edge roughness due to the largely degraded longitudinal phonons. These findings suggest possibilities of obtaining a higher thermoelectric efficiency in MoS2 nanoribbons.
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Liu et al. (2014) studied this question.
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