Strain-Enhanced Thermoelectric Performance in GeS₂ Monolayer.

ABSTRACT: Strain engineering has attracted extensive attention as a valid method to tune the physical and chemical properties of two-dimensional (2D) materials. Here, based on first-principles calculations and by solving the semi-classical Boltzmann transport equation, we reveal that the tensile strain can efficiently enhance the thermoelectric properties of the GeS₂ monolayer. It is highlighted that the GeS₂ monolayer has a suitable band gap of 1.50 eV to overcome the bipolar conduction effects in materials and can even maintain high stability under a 6% tensile strain. Interestingly, the band degeneracy in the GeS₂ monolayer can be effectually regulated through strain, thus improving the power factor. Moreover, the lattice thermal conductivity can be reduced from 3

SUBMITTER: Ruan X 

PROVIDER: S-EPMC9182024 | biostudies-literature | 2022 Jun

REPOSITORIES: biostudies-literature