Structural and optical properties of ZnS/MgNb2O6 heterostructures

Abstract

In this letter, we report a simple and efficient synthetic procedure where the first step is a coprecipitation/calcination method used to obtain magnesium niobate

Magnocolumbites Mg1–xMxNb2O6−δ (x = 0, 0.1, and 0.2; M = Li and Cu) as New Oxygen Ion Conductors: Theoretical Assessment and Experiment

“…The optical band gap of the samples was determined using the Tauc relation (α h υ) 2 = A ( h υ – E g ) corresponding to the direct band gap transition (inset in Figure b). The evaluated optical band gap of MgNb 2 O 6 is 4.25 eV, which is close to the DFT-HSE03-predicted value (4.96 eV) and the experimental band gaps measured for both the MgNb 2 O 6 single crystal (4.18 eV) and nanoparticles (4.06 eV and 4.15 eV) . For the Li-doped compositions, the band gap value slightly decreases with an increasing lithium content (Table S5).…”

“…The evaluated optical band gap of MgNb 2 O 6 is 4.25 eV, which is close to the DFT-HSE03-predicted value (4.96 eV) and the experimental band gaps measured for both the MgNb 2 O 6 single crystal (4.18 eV) 55 and nanoparticles (4.06 eV and 4.15 eV). 56 For the Li-doped compositions, the band gap value slightly decreases with an increasing lithium content (Table S5). This fact can be explained by the contribution of the LiNbO 3 impurity with a lower E g = 3.87 eV.…”