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Silver molybdate (Ag2MoO4) and silver tungstate (Ag2WO4) nanomaterials were prepared using two complementary methods, microwave assisted hydrothermal synthesis (MAH) (pH 7, 140 °C) and co-precipitation (pH 4, 70 °C), and were then used to prepare two core/shell composites, namely α-Ag2WO4/ β-Ag2MoO4 (MAH, pH 4, 140 °C) and β-Ag2MoO4/ β-Ag2WO4 (co-precipitation, pH 4, 70 °C). The shape and size of the microcrystals were observed by field emission scanning electron microscopy (FE-SEM), different morphologies such as balls and nanorods. These powders were characterized by X-ray powder diffraction and UV-vis (diffuse reflectance and photoluminescence). X-ray diffraction patterns showed that the Ag2MoO4 samples obtained by the two methods were single-phased and belonged to the β-Ag2MoO4 structure (spinel type). In contrast, the Ag2WO4 obtained in the two syntheses were structurally different: MAH exhibited the well-known tetrameric stable structure β-Ag2WO4, while co-precipitation afforded the metastable β-Ag2WO4 allotrope, coexisting with a weak amount of the α;-phase. The optical gap of β-Ag2WO4 (3.3 eV) was evaluated for the first time. In contrast to β-Ag2MoO4/ β-Ag2WO4, the α-Ag2WO4/ β-Ag2MoO4 exhibited strongly-enhanced photoluminescence in the low-energy band (650 nm), tentatively explained by the creation of a large density of local defects (distortions) at the core-shell interface, due to the presence of two different types of MOx polyhedra in the two structures.

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The photoluminescence (PL) emission from zinc sulfide (ZnS) synthesized by the microwave-assisted solvothermal method in the presence/absence of a capping agent was examined to understand the key role of its PL activity. In addition, we also investigated the electronic structure using a first-principle calculation based on density functional theory (DFT) applied to periodic models at BÁLYP level. Two models were selected to simulate the effects of structural deformation on the electronic structure; the ordered o-ZnS model and the disordered d-ZnS model, dislocating the Zn atom, 0.1 Å , in the z-direction. The PLemission in the visible region showed different peak positions and intensities in capped and uncapped ZnS. The PL emission was linked to distinct distortions in lattices and the emission of two colors, green in the capped and blue in the uncapped, was also examined in the light of favorable structural and electronic conditions. The computational simulations indicate that the electronic behavior can be associated with the new electronic levels above the valence band.

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