Monolayer PdSe2: A promising two-dimensional thermoelectric material

This is the authors' abstract. We don't add key points for this paper.

Motivated by the recent experimental synthesis of two-dimensional semiconducting film PdSe 2 , we investigate the electronic and thermal transport properties of PdSe 2 monolayer by using the density functional theory and semiclassical Boltzmann transport equation. The calculated results reveal anisotropic transport properties. Low lattice thermal conductivity about 3 Wm −1 K −1 (300K) along the x direction is obtained, and the dimensionless thermoelectric figure of merit can reach 1.1 along the x direction for p -type doping at room temperature, indicating the promising thermoelectric performance of monolayer PdSe 2 .