A theoretical prediction of thermoelectrical properties for novel two-dimensional monolayer ZrSn2N4

The optimal ZT values for p-type (n-type) doped ZrSn 2 N 4 can reach a moderate level of 1.15 (0.91) at 1200 K, which demonstrates the great potential of the ZrSn 2 N 4 monolayer as a TE material.