Monolayer SnI₂: An Excellent p-Type Thermoelectric Material with Ultralow Lattice Thermal Conductivity.

ABSTRACT: Using density functional theory and semiclassical Boltzmann transport equation, the lattice thermal conductivity and electronic transport performance of monolayer SnI₂ were systematically investigated. The results show that its room temperature lattice thermal conductivities along the zigzag and armchair directions are as low as 0.33 and 0.19 W/mK, respectively. This is attributed to the strong anharmonicity, softened acoustic modes, and weak bonding interactions. Such values of the lattice thermal conductivity are lower than those of other famous two-dimensional thermoelectric materials such as MoO₃, SnSe, and KAgSe. The two quasi-degenerate band valleys for the valence band maximum make it a p-type thermoelectric material. Due to its ultralow lattice thermal conduct

SUBMITTER: Xie QY 

PROVIDER: S-EPMC9101867 | biostudies-literature | 2022 Apr

REPOSITORIES: biostudies-literature