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Villars, P.; Cenzual, K.; Daams, J.; Gladyshevskii, R.; Shcherban, O.; Dubenskyy, V.; Melnichenko-Koblyuk, N.; Pavlyuk, O.; Savysyuk, I.; Stoyko, S.; Sysa, L.

doi:10.1007/978-3-540-46933-9_362

Structure Types. Part 5: Space Groups (173) P63 - (166) R-3m

2007

DOI: 10.1007/978-3-540-46933-9_362

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P. Villars¹,

K. Cenzual²,

J. Daams³

et al.

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2015

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“…Structure relaxation for SLMoS2 yields lattice constant of about 3.13 Å, consistent with previous predications of 3.12-3.16 Å [20][21][22]. For the consistency of property evaluation, the thickness of SLMoS2 is assumed to be 6.16 Å --the same as that of the single-sheet in bulk MoS2 [35]. The following calculations on electrons and phonons are based on this optimized structure.…”

supporting

confidence: 75%

A Revisit to High Thermoelectric Performance of Single-layer MoS2

Jin

Liao

Fang

et al. 2015

Sci Rep

178

158

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Both electron and phonon transport properties of single layer MoS2 (SLMoS2) are studied. Based on first-principles calculations, the electrical conductivity of SLMoS2 is calculated by Boltzmann equations. The thermal conductivity of SLMoS2 is calculated to be as high as 116.8 Wm−1K−1 by equilibrium molecular dynamics simulations. The predicted value of ZT is as high as 0.11 at 500 K. As the thermal conductivity could be reduced largely by phonon engineering, there should be a high possibility to enhance ZT in the SLMoS2-based materials.

show abstract

supporting

confidence: 75%

A Revisit to High Thermoelectric Performance of Single-layer MoS2

Jin

Liao

Fang

et al. 2015

Sci Rep

178

158

View full text Add to dashboard Cite

show abstract

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Cited by 1 publication

References 2 publications

A Revisit to High Thermoelectric Performance of Single-layer MoS2

A Revisit to High Thermoelectric Performance of Single-layer MoS2

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