Strain-induced changes of electronic and optical properties of O adsorbed ReS2 monolayer

The electronic structure and optical properties of O adsorbed ReS2 monolayer under different biaxial strains were studied through Density Functional Theory. Strain reduces the band gap of O adsorbed ReS2 monolayer, the band gap varies greatly reaching 1.509 eV under strain of −10%. Both the absorption intensity and reflectivity change significantly under strains. The adsorption coefficient reaches maximum value of 27.08 × 104 cm−1 under strain of −10% within the ultraviolet range. Our research shows that strain can effectively modulate the optoelectronic properties of O adsorbed ReS2 monolayer, which provides helpful guidance for the application of ReS2 in nanoscale optoelectronic devices.