Synthesis, structural, optical insight and DFT investigation of NaMn2V3O10

Abstract Semiconductors have shown numerous applications in different fields such as photovoltaic, sensing, catalysis, etc. due to their excellent properties. In this work, we deal with the synthesis and characterization of the NaMn2V3O10 powder by X-ray diffraction, Infrared, RAMAN, and UV–Visible spectroscopy. Likewise, the electronic and optical properties were studied through a full-potential linearized augmented plane wave method within the density functional theory in its generalized gradient approximation (GGA). The combined experimental and theoretical results are used to describe the optical properties of NaMn2V3O10, showing a direct optical bandgap with a value of 1.54 eV and 1.83 eV calculated from DFT investigation and UV–Visible spectroscopy measurement respectively.