Thermoelectric Properties of 2D Sn2SSe$Sn_{2}SSe$ Monolayer

Abstract

Abstract2D Janus materials have drawn great interest in recent years due to their energy applications including thermoelectricity (TE) and photocatalysis. In this work, density functional theory and Boltzmann transport equations are coupled to look into the thermoelectric properties of monolayer. is an indirect bandgap semiconductor with a bandgap of 0.88 eV. This monolayer is chemically as well as dynamically stable. The thermoelectric parameters such as the Seebeck coefficient, electrical conductivity, and thermal conductivity due to electrons and phonons are explored along the zigzag and armchair orientation. The high value of electrical conductivity and low‐value lattice thermal conductivity along the zigzag orientation yields the high value of ZT = 1.93.