Ab Initio Study of Electronic and Lattice Dynamical Properties of Monolayer ZnO Under Strain

Hydrostatic Pressure-Induced Anomalous Enhancement in the Thermoelectric Performance of Monolayer MoS2

“…Efforts have been made to improve the thermoelectric efficiency of ML-MoS 2 by applying an external electric field or mechanical strain. ,,,,, Doping with impurity atoms and hybridization are the widely explored avenues in improving the zT of a material. ,, In-plane strain engineering has also been employed routinely to tune the electronic and thermoelectric properties of various 2D materials, such as WS 2 , ZrS 2 , HfS 2 , and ZnO. ,,, In one of our earlier studies, we have seen that the in-plane tensile strains, in general, and the strains along the zigzag direction, in particular, can significantly enhance the thermoelectric efficiency of ML-MoS 2 . However, the implementation of different in-plane strains in experiments is a daunting task. − Application of hydrostatic pressure, on the other hand, can be a potential easier alternative route that can be achieved experimentally owing to the fairly simple procedure and reversibility.…”

“…9,38,39 In-plane strain engineering has also been employed routinely to tune the electronic and thermoelectric properties of various 2D materials, such as WS 2 , ZrS 2 , HfS 2 , and ZnO. 12,23,40,41 In one of our earlier studies, we have seen that the in-plane tensile strains, in general, and the strains along the zigzag direction, in particular, can significantly enhance the thermoelectric efficiency of ML-MoS 2 . 31 However, the implementation of different in-plane strains in experiments is a daunting task.…”