Abstract
In this study, electronic, thermoelectric and optical properties of partially fluorinated borophene were investigated in the framework of density functional theory. The calculations performed by standard generalized gradient approximation (GGA) as well as meta-GGA. The bandgap energy increased from 0.4 eV by GGA to 0.87 eV in the case of meta-GGA. Thermoelectric property investigations revealed the figure of merit close to unity while the thermoelectric performance of the monolayer improved by meta-GGA calculations. The real and imaginary parts of the dielectric function exhibited optical anisotropic behaviors.
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