The excellent thermoelectric performance of monolayer KCuTe is discovered by first-principles study for the first time.

Based on the atomic substitution method, the RbAgM monolayers (M=Se and Te), a class of derivative compounds of KAgSe, have been successfully predicted, which exhibit ultra-high mobility and poor heat...

We present the comparative investigation of phonon transport and thermal conductivity between diamond SLNWs and SiGe SLNWs by molecular dynamics simulations.