Doping effect on thermoelectric properties of MoS${}_2$

Abstract

We systematically study thermoelectric properties of layered MoS${}_2$ by doping, based on Boltzmann transport theory and first-principles calculations. We obtain optimal doping region (around 10${}^{19}$ cm${}^{-3}$) by looking closely to the temperature and doping level dependent thermopower, electrical conductivity, power factor (PF) and ultimately figure of merit (ZT) coefficient along in-plane and cross-plane directions. MoS${}_2$ has a vanishingly small anisotropy of thermopower but a big anisotropy of electrical conductivity and electronic thermal conductivity in optimal doping region. ${\kappa }_e$ is comparable to ${\kappa }_l$ in the plane while ${\kappa }_l$ dominates over ${\kappa }_e$ across the plane. ZT can reach as high as 0.3 at around 700 K. In-plane direction is demonstrated to be more preferable for thermoelectric applications of MoS${}_2$ by doping.

5 pages, 6 figures

References in corpus (2)

• Anomalous Lattice Vibrations of Single and Few-Layer MoS2
• High pressure effect on structure, electronic structure and thermoelectric properties of MoS${}_2$

Cited by in corpus (3)

• MoS2 nanoribbons as promising thermoelectric materials
• Control of Valley Degeneracy in MoS2 by Layer Thickness and Electric Field and Its Effect on Thermoelectric Properties
• First principles calculations of the interface properties of amorphous-Al2O3/MoS2 under non-strain and biaxial strain conditions