High Thermoelectric Performance of a Novel γ-PbSnX₂ (X = S, Se, Te) Monolayer: Predicted Using First Principles.

ABSTRACT: Two-dimensional (2D) group IV metal chalcogenides are potential candidates for thermoelectric (TE) applications due to their unique structural properties. In this paper, we predicted a 2D monolayer group IV metal chalcogenide semiconductor γ-PbSn₂ (X = S, Se, Te), and first-principles calculations and Boltzmann transport theory were used to study the thermoelectric performance. We found that γ-PbSnX₂ had an ultra-high carrier mobility of up to 4.04 × 10³ cm² V^-1 s^-1, which produced metal-like electrical conductivity. Moreover, γ-PbSn₂ not only has a very high Seebeck coefficient, which leads to a high power factor, but also shows an intrinsically low lattice thermal conductivity of 6-8 W/mK at room temperature. Th

SUBMITTER: Ding C 

PROVIDER: S-EPMC10180089 | biostudies-literature | 2023 Apr

REPOSITORIES: biostudies-literature