Weak Polar Optical Phonon Scattering Decouples Electron and Phonon Transport in Layered Thermoelectric Materials
By screening 236 layered semiconductors through high-throughput density functional theory calculations, this study identifies a strategy to decouple electron and phonon transport by mitigating polar optical phonon (POP) scattering, highlighting as a high-performance thermoelectric candidate with high electrical conductivity and ultralow lattice thermal conductivity.