Improved thermoelectric properties of WS₂–WSe₂ phononic crystals: insights from first-principles calculations

Abstract

values of the PCH2 structure can reach 2.53 and 4.54 with p-type doping along the x and y directions, which are 2.66 and 6.75 times higher than those of the SL1 monolayer. This work provides a new strategy to obtain higher thermoelectric performance and demonstrates the potential applications of phononic crystals in TMDC-based nanoelectronic devices.